CID 49009
Benzoic acid, 2-(cyclopentylamino)propyl ester, hydrochloride
Structural Information
- Molecular Formula
- C15H21NO2
- SMILES
- CC(COC(=O)C1=CC=CC=C1)NC2CCCC2
- InChI
- InChI=1S/C15H21NO2/c1-12(16-14-9-5-6-10-14)11-18-15(17)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3
- InChIKey
- YBKXYTIXSKLDBF-UHFFFAOYSA-N
- Compound name
- 2-(cyclopentylamino)propyl benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 248.16451 | 160.0 |
[M+Na]+ | 270.14645 | 162.7 |
[M-H]- | 246.14995 | 165.5 |
[M+NH4]+ | 265.19105 | 177.9 |
[M+K]+ | 286.12039 | 160.6 |
[M+H-H2O]+ | 230.15449 | 152.5 |
[M+HCOO]- | 292.15543 | 181.6 |
[M+CH3COO]- | 306.17108 | 194.7 |
[M+Na-2H]- | 268.13190 | 160.9 |
[M]+ | 247.15668 | 157.4 |
[M]- | 247.15778 | 157.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.