CID 55274734

4-methoxy-5-methylpyridine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC1=CN=C(C=C1OC)C(=O)O
InChI
InChI=1S/C8H9NO3/c1-5-4-9-6(8(10)11)3-7(5)12-2/h3-4H,1-2H3,(H,10,11)
InChIKey
OHHQLTUHTXAIMV-UHFFFAOYSA-N
Compound name
4-methoxy-5-methylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

167.05824 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 131.5
[M+Na]+ 190.047458 140.8
[M-H]- 166.050964 133.2
[M+NH4]+ 185.092063 150.5
[M+K]+ 206.021398 139.6
[M+H-H2O]+ 150.055500 125.6
[M+HCOO]- 212.056441 153.6
[M+CH3COO]- 226.072091 176.7
[M+Na-2H]- 188.032906 137.3
[M]+ 167.05769142 133.5
[M]- 167.05878858 133.5
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