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 148.5
[M+Na]+ 247.02447 158.9
[M-H]- 223.02797 152.0
[M+NH4]+ 242.06907 165.5
[M+K]+ 262.99841 155.2
[M+H-H2O]+ 207.03251 137.0
[M+HCOO]- 269.03345 164.7
[M+CH3COO]- 283.04910 202.6
[M+Na-2H]- 245.00992 151.6
[M]+ 224.03470 146.2
[M]- 224.03580 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.