CID 62493969
2-[(4-chloro-2-cyanophenyl)(methyl)amino]acetic acid
Structural Information
- Molecular Formula
- C10H9ClN2O2
- SMILES
- CN(CC(=O)O)C1=C(C=C(C=C1)Cl)C#N
- InChI
- InChI=1S/C10H9ClN2O2/c1-13(6-10(14)15)9-3-2-8(11)4-7(9)5-12/h2-4H,6H2,1H3,(H,14,15)
- InChIKey
- WOXLXDQQQWNWKT-UHFFFAOYSA-N
- Compound name
- 2-(4-chloro-2-cyano-N-methylanilino)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 225.04253 | 145.2 |
[M+Na]+ | 247.02447 | 156.8 |
[M+NH4]+ | 242.06907 | 149.5 |
[M+K]+ | 262.99841 | 148.3 |
[M-H]- | 223.02797 | 139.7 |
[M+Na-2H]- | 245.00992 | 148.6 |
[M]+ | 224.03470 | 144.6 |
[M]- | 224.03580 | 144.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.