CID 16769365
3-{[(3-chlorophenyl)methyl]amino}propanoic acid hydrochloride
Structural Information
- Molecular Formula
- C10H12ClNO2
- SMILES
- C1=CC(=CC(=C1)Cl)CNCCC(=O)O
- InChI
- InChI=1S/C10H12ClNO2/c11-9-3-1-2-8(6-9)7-12-5-4-10(13)14/h1-3,6,12H,4-5,7H2,(H,13,14)
- InChIKey
- FIMNCYXVUOWDSL-UHFFFAOYSA-N
- Compound name
- 3-[(3-chlorophenyl)methylamino]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 214.06293 | 144.2 |
[M+Na]+ | 236.04487 | 151.6 |
[M-H]- | 212.04837 | 146.4 |
[M+NH4]+ | 231.08947 | 162.9 |
[M+K]+ | 252.01881 | 147.4 |
[M+H-H2O]+ | 196.05291 | 139.2 |
[M+HCOO]- | 258.05385 | 163.1 |
[M+CH3COO]- | 272.06950 | 185.6 |
[M+Na-2H]- | 234.03032 | 149.3 |
[M]+ | 213.05510 | 145.8 |
[M]- | 213.05620 | 145.8 |
Literature stripe
No literature data available for this compound.