CID 4962393

852940-45-5

Structural Information

Molecular Formula
C8H7ClN2O3
SMILES
C1=CN=C(C=C1Cl)C(=O)NCC(=O)O
InChI
InChI=1S/C8H7ClN2O3/c9-5-1-2-10-6(3-5)8(14)11-4-7(12)13/h1-3H,4H2,(H,11,14)(H,12,13)
InChIKey
BERLGDFOMLYTFN-UHFFFAOYSA-N
Compound name
2-[(4-chloropyridine-2-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 140.5
[M+Na]+ 237.00375 148.7
[M-H]- 213.00725 141.8
[M+NH4]+ 232.04835 157.6
[M+K]+ 252.97769 145.4
[M+H-H2O]+ 197.01179 134.9
[M+HCOO]- 259.01273 158.3
[M+CH3COO]- 273.02838 183.7
[M+Na-2H]- 234.98920 145.7
[M]+ 214.01398 141.9
[M]- 214.01508 141.9
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

No patent data available for this compound.