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]+ 187.026876 134.6
[M+Na]+ 209.008818 145.1
[M-H]- 185.012324 136.1
[M+NH4]+ 204.053423 153.3
[M+K]+ 224.982758 141.3
[M+H-H2O]+ 169.016860 129.7
[M+HCOO]- 231.017801 152.5
[M+CH3COO]- 245.033451 181.0
[M+Na-2H]- 206.994266 138.8
[M]+ 186.01905142 135.3
[M]- 186.02014858 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.