CID 651661

122180-16-9

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC1=CC(=O)N(C=C1)CC(=O)O
InChI
InChI=1S/C8H9NO3/c1-6-2-3-9(5-8(11)12)7(10)4-6/h2-4H,5H2,1H3,(H,11,12)
InChIKey
TTYWNTQPYNNGLJ-UHFFFAOYSA-N
Compound name
2-(4-methyl-2-oxopyridin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
Patents

167.05824 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.5
[M+Na]+ 190.04746 145.0
[M+NH4]+ 185.09206 139.3
[M+K]+ 206.02140 140.3
[M-H]- 166.05096 132.4
[M+Na-2H]- 188.03291 138.0
[M]+ 167.05769 134.0
[M]- 167.05879 134.0
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