CID 14998713

33821-59-9

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC1=CC(=O)C(=CN1C)C(=O)O
InChI
InChI=1S/C8H9NO3/c1-5-3-7(10)6(8(11)12)4-9(5)2/h3-4H,1-2H3,(H,11,12)
InChIKey
WKIVLYSBCFMIPY-UHFFFAOYSA-N
Compound name
1,6-dimethyl-4-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

167.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.3
[M+Na]+ 190.04746 145.1
[M+NH4]+ 185.09206 139.1
[M+K]+ 206.02140 140.7
[M-H]- 166.05096 132.3
[M+Na-2H]- 188.03291 137.6
[M]+ 167.05769 133.9
[M]- 167.05879 133.9
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