CID 459325
2-[bis(carboxymethyl)amino]benzoic acid
Structural Information
- Molecular Formula
- C11H11NO6
- SMILES
- C1=CC=C(C(=C1)C(=O)O)N(CC(=O)O)CC(=O)O
- InChI
- InChI=1S/C11H11NO6/c13-9(14)5-12(6-10(15)16)8-4-2-1-3-7(8)11(17)18/h1-4H,5-6H2,(H,13,14)(H,15,16)(H,17,18)
- InChIKey
- IKEUZCGOPYSHNN-UHFFFAOYSA-N
- Compound name
- 2-[bis(carboxymethyl)amino]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 254.06592 | 151.7 |
[M+Na]+ | 276.04786 | 156.6 |
[M-H]- | 252.05136 | 152.5 |
[M+NH4]+ | 271.09246 | 166.2 |
[M+K]+ | 292.02180 | 156.3 |
[M+H-H2O]+ | 236.05590 | 145.2 |
[M+HCOO]- | 298.05684 | 171.4 |
[M+CH3COO]- | 312.07249 | 192.4 |
[M+Na-2H]- | 274.03331 | 152.7 |
[M]+ | 253.05809 | 152.1 |
[M]- | 253.05919 | 152.1 |