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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.03525 Da
Monoisotopic Mass

2.0
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.