CID 5311261
198419-91-9
Structural Information
- Molecular Formula
- C10H11NO4
- SMILES
- CC1=C(C=CC(=C1)C(=O)O)[C@@H](C(=O)O)N
- InChI
- InChI=1S/C10H11NO4/c1-5-4-6(9(12)13)2-3-7(5)8(11)10(14)15/h2-4,8H,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
- InChIKey
- SGIKDIUCJAUSRD-QMMMGPOBSA-N
- Compound name
- 4-[(S)-amino(carboxy)methyl]-3-methylbenzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 210.07608 | 144.6 |
[M+Na]+ | 232.05802 | 153.5 |
[M+NH4]+ | 227.10262 | 150.0 |
[M+K]+ | 248.03196 | 151.3 |
[M-H]- | 208.06152 | 143.8 |
[M+Na-2H]- | 230.04347 | 147.4 |
[M]+ | 209.06825 | 145.1 |
[M]- | 209.06935 | 145.1 |