CID 11769266

2-chloro-6-methoxypyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H6ClNO3
SMILES
COC1=NC(=C(C=C1)C(=O)O)Cl
InChI
InChI=1S/C7H6ClNO3/c1-12-5-3-2-4(7(10)11)6(8)9-5/h2-3H,1H3,(H,10,11)
InChIKey
JPBUYRWPJMVZKX-UHFFFAOYSA-N
Compound name
2-chloro-6-methoxypyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

187.00362 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01090 131.6
[M+Na]+ 209.99284 142.0
[M-H]- 185.99634 133.3
[M+NH4]+ 205.03744 150.6
[M+K]+ 225.96678 139.2
[M+H-H2O]+ 170.00088 126.7
[M+HCOO]- 232.00182 149.4
[M+CH3COO]- 246.01747 177.5
[M+Na-2H]- 207.97829 137.6
[M]+ 187.00307 135.2
[M]- 187.00417 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe