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Systematic / IUPAC Name: 3-(Cyclohexylamino)-2-hydroxypropane-1-sulfonic acid

ID: Reference2628

Other Names: 1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-;
3-(Cyclohexylamino)-2-hydroxypropanesulfonic acid;
3-Cyclohexylamino-2-hydroxy-1-propanesulfonic acid

Formula: C9H19NO4S

Spectral Data

CAPSO mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 236
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/23/2015 8:56:48 AM
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Identificators

InChI InChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)
InChI Key INEWUCPYEUEQTN-UHFFFAOYSA-N
Canonical SMILES C1CCC(CC1)NCC(CS(=O)(=O)O)O
CAS 73463395
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Other Names 1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-;
3-(Cyclohexylamino)-2-hydroxypropanesulfonic acid;
3-Cyclohexylamino-2-hydroxy-1-propanesulfonic acid

In Other Databases

ChemIDPlus 073463395
Wikipedia CAPS (buffer)
PubChem 2733480
ChemSpider 2015277