CID 11953492

6-methoxy-3-pyridineacetic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
COC1=NC=C(C=C1)CC(=O)O
InChI
InChI=1S/C8H9NO3/c1-12-7-3-2-6(5-9-7)4-8(10)11/h2-3,5H,4H2,1H3,(H,10,11)
InChIKey
UTQOMFXXEDWGIQ-UHFFFAOYSA-N
Compound name
2-(6-methoxypyridin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

167.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 133.2
[M+Na]+ 190.04746 145.3
[M+NH4]+ 185.09206 140.3
[M+K]+ 206.02140 140.5
[M-H]- 166.05096 133.3
[M+Na-2H]- 188.03291 139.1
[M]+ 167.05769 134.7
[M]- 167.05879 134.7
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

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