CID 22494228

72918-10-6

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC1=NC(=C(C=C1)C(=O)O)OC
InChI
InChI=1S/C8H9NO3/c1-5-3-4-6(8(10)11)7(9-5)12-2/h3-4H,1-2H3,(H,10,11)
InChIKey
CLNDEEXLZYTRKR-UHFFFAOYSA-N
Compound name
2-methoxy-6-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

167.05824 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe