CID 53430549

1211581-22-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

167.05824 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 131.5
[M+Na]+ 190.04746 140.8
[M-H]- 166.05096 133.2
[M+NH4]+ 185.09206 150.5
[M+K]+ 206.02140 139.6
[M+H-H2O]+ 150.05550 125.6
[M+HCOO]- 212.05644 153.6
[M+CH3COO]- 226.07209 176.7
[M+Na-2H]- 188.03291 137.3
[M]+ 167.05769 133.5
[M]- 167.05879 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