CID 18324437

6-chloro-5-methylpyridine-2-carboxylic acid

Structural Information

Molecular Formula
C7H6ClNO2
SMILES
CC1=C(N=C(C=C1)C(=O)O)Cl
InChI
InChI=1S/C7H6ClNO2/c1-4-2-3-5(7(10)11)9-6(4)8/h2-3H,1H3,(H,10,11)
InChIKey
ZURJURQGGWNOFN-UHFFFAOYSA-N
Compound name
6-chloro-5-methylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

171.00871 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.01599 128.9
[M+Na]+ 193.99793 139.4
[M-H]- 170.00143 130.6
[M+NH4]+ 189.04253 148.6
[M+K]+ 209.97187 136.0
[M+H-H2O]+ 154.00597 124.2
[M+HCOO]- 216.00691 146.5
[M+CH3COO]- 230.02256 175.4
[M+Na-2H]- 191.98338 134.9
[M]+ 171.00816 131.0
[M]- 171.00926 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