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]+ 225.042526 148.5
[M+Na]+ 247.024468 158.9
[M-H]- 223.027974 152.0
[M+NH4]+ 242.069073 165.5
[M+K]+ 262.998408 155.2
[M+H-H2O]+ 207.032510 137.0
[M+HCOO]- 269.033451 164.7
[M+CH3COO]- 283.049101 202.6
[M+Na-2H]- 245.009916 151.6
[M]+ 224.03470142 146.2
[M]- 224.03579858 146.2
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.