CID 66090714
4-amino-3-(4-chlorophenyl)-4-methylpentanoic acid hydrochloride
Structural Information
- Molecular Formula
- C12H16ClNO2
- SMILES
- CC(C)(C(CC(=O)O)C1=CC=C(C=C1)Cl)N
- InChI
- InChI=1S/C12H16ClNO2/c1-12(2,14)10(7-11(15)16)8-3-5-9(13)6-4-8/h3-6,10H,7,14H2,1-2H3,(H,15,16)
- InChIKey
- MEIXRUWEWJUTFS-UHFFFAOYSA-N
- Compound name
- 4-amino-3-(4-chlorophenyl)-4-methylpentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 242.09424 | 153.6 |
[M+Na]+ | 264.07618 | 160.3 |
[M-H]- | 240.07968 | 155.4 |
[M+NH4]+ | 259.12078 | 170.9 |
[M+K]+ | 280.05012 | 156.2 |
[M+H-H2O]+ | 224.08422 | 149.0 |
[M+HCOO]- | 286.08516 | 168.7 |
[M+CH3COO]- | 300.10081 | 192.2 |
[M+Na-2H]- | 262.06163 | 156.1 |
[M]+ | 241.08641 | 153.9 |
[M]- | 241.08751 | 153.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.