CID 83668669

2-amino-6-chloro-4-methylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
CC1=CC(=NC(=C1C(=O)O)N)Cl
InChI
InChI=1S/C7H7ClN2O2/c1-3-2-4(8)10-6(9)5(3)7(11)12/h2H,1H3,(H2,9,10)(H,11,12)
InChIKey
YHZROHVROTWUDK-UHFFFAOYSA-N
Compound name
2-amino-6-chloro-4-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0196 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02688 134.6
[M+Na]+ 209.00882 145.1
[M-H]- 185.01232 136.1
[M+NH4]+ 204.05342 153.3
[M+K]+ 224.98276 141.3
[M+H-H2O]+ 169.01686 129.7
[M+HCOO]- 231.01780 152.5
[M+CH3COO]- 245.03345 181.0
[M+Na-2H]- 206.99427 138.8
[M]+ 186.01905 135.3
[M]- 186.02015 135.3
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.