CID 22507698

2-(6-methylpyridin-3-yl)acetic acid

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1=NC=C(C=C1)CC(=O)O
InChI
InChI=1S/C8H9NO2/c1-6-2-3-7(5-9-6)4-8(10)11/h2-3,5H,4H2,1H3,(H,10,11)
InChIKey
DWTRPWLHNATUPX-UHFFFAOYSA-N
Compound name
2-(6-methylpyridin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

151.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 130.1
[M+Na]+ 174.05254 142.7
[M+NH4]+ 169.09714 137.8
[M+K]+ 190.02648 137.3
[M-H]- 150.05604 130.8
[M+Na-2H]- 172.03799 136.5
[M]+ 151.06277 131.9
[M]- 151.06387 131.9
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