CID 22494228

2-methoxy-6-methylnicotinic acid

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

37
Patents

167.05824 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.9
[M+Na]+ 190.04746 145.4
[M+NH4]+ 185.09206 140.0
[M+K]+ 206.02140 140.8
[M-H]- 166.05096 133.1
[M+Na-2H]- 188.03291 138.6
[M]+ 167.05769 134.6
[M]- 167.05879 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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