Methyl 4-(aminomethyl)benzoate
3738
Reference
Methyl 4-(aminomethyl)benzoate Structure
Systematic / IUPAC Name: Methyl 4-(aminomethyl)benzoate
ID: Reference3738
Other Names:
4-Aminomethyl-benzoic acid methyl ester;
Benzoic acid, 4-aminomethyl-, methyl ester
Formula: C9H11NO2
Spectral Data
Methyl 4-(aminomethyl)benzoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 2/8/2016 10:02:47 AM |
Identificators
| InChI | InChI=1S/C9H11NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3 |
| InChI Key | AQBJGAUQEJFPKZ-UHFFFAOYSA-N |
| Canonical SMILES | COC(=O)C1=CC=C(C=C1)CN |
| CAS | |
| Splash | |
| Other Names |
4-Aminomethyl-benzoic acid methyl ester; Benzoic acid, 4-aminomethyl-, methyl ester |
In Other Databases
| PubChem | 571728 |
| ChEMBL | CHEMBL148986 |
| ChemSpider | 497106 |