CID 131751637
(s)-3-[(cyanophenylmethyl)amino]-3-oxopropanoic acid
Structural Information
- Molecular Formula
- C11H10N2O3
- SMILES
- C1=CC=C(C=C1)C(C#N)NC(=O)CC(=O)O
- InChI
- InChI=1S/C11H10N2O3/c12-7-9(8-4-2-1-3-5-8)13-10(14)6-11(15)16/h1-5,9H,6H2,(H,13,14)(H,15,16)
- InChIKey
- WMOFHAQITVHGSC-UHFFFAOYSA-N
- Compound name
- 3-[[cyano(phenyl)methyl]amino]-3-oxopropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 219.07642 | 152.9 |
[M+Na]+ | 241.05836 | 159.9 |
[M-H]- | 217.06186 | 154.4 |
[M+NH4]+ | 236.10296 | 167.8 |
[M+K]+ | 257.03230 | 157.5 |
[M+H-H2O]+ | 201.06640 | 139.9 |
[M+HCOO]- | 263.06734 | 170.8 |
[M+CH3COO]- | 277.08299 | 198.9 |
[M+Na-2H]- | 239.04381 | 155.3 |
[M]+ | 218.06859 | 146.5 |
[M]- | 218.06969 | 146.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.