CID 53558

N-(2-chloronicotinoyl)glycine

Structural Information

Molecular Formula
C8H7ClN2O3
SMILES
C1=CC(=C(N=C1)Cl)C(=O)NCC(=O)O
InChI
InChI=1S/C8H7ClN2O3/c9-7-5(2-1-3-10-7)8(14)11-4-6(12)13/h1-3H,4H2,(H,11,14)(H,12,13)
InChIKey
QTHZQNVGWMIFRI-UHFFFAOYSA-N
Compound name
2-[(2-chloropyridine-3-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

214.01453 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.02181 141.4
[M+Na]+ 237.00375 152.7
[M+NH4]+ 232.04835 147.8
[M+K]+ 252.97769 148.2
[M-H]- 213.00725 141.3
[M+Na-2H]- 234.98920 146.6
[M]+ 214.01398 142.9
[M]- 214.01508 142.9
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

patents stripe