CID 86615232

946119-30-8

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
CNC1=C(N=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C7H7ClN2O2/c1-9-4-2-3-5(8)10-6(4)7(11)12/h2-3,9H,1H3,(H,11,12)
InChIKey
FPIGQERMUCWVSU-UHFFFAOYSA-N
Compound name
6-chloro-3-(methylamino)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

186.0196 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.026876 134.2
[M+Na]+ 209.008818 143.7
[M-H]- 185.012324 135.8
[M+NH4]+ 204.053423 152.9
[M+K]+ 224.982758 140.2
[M+H-H2O]+ 169.016860 129.0
[M+HCOO]- 231.017801 152.8
[M+CH3COO]- 245.033451 180.3
[M+Na-2H]- 206.994266 140.3
[M]+ 186.01905142 135.5
[M]- 186.02014858 135.5
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.