CID 68632720

4-chloro-5-methylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H6ClNO2
SMILES
CC1=CN=CC(=C1Cl)C(=O)O
InChI
InChI=1S/C7H6ClNO2/c1-4-2-9-3-5(6(4)8)7(10)11/h2-3H,1H3,(H,10,11)
InChIKey
VLTQRNNEGLICJH-UHFFFAOYSA-N
Compound name
4-chloro-5-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

171.00871 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.015986 128.9
[M+Na]+ 193.997928 139.4
[M-H]- 170.001434 130.6
[M+NH4]+ 189.042533 148.6
[M+K]+ 209.971868 136.0
[M+H-H2O]+ 154.005970 124.2
[M+HCOO]- 216.006911 146.5
[M+CH3COO]- 230.022561 175.4
[M+Na-2H]- 191.983376 134.9
[M]+ 171.00816142 131.0
[M]- 171.00925858 131.0
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