CID 68432029

956386-40-6

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC1=CC(=CC(=O)N1C)C(=O)O
InChI
InChI=1S/C8H9NO3/c1-5-3-6(8(11)12)4-7(10)9(5)2/h3-4H,1-2H3,(H,11,12)
InChIKey
GYMLKVABUBRXLQ-UHFFFAOYSA-N
Compound name
1,2-dimethyl-6-oxopyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

167.05824 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 129.7
[M+Na]+ 190.04746 140.2
[M-H]- 166.05096 131.8
[M+NH4]+ 185.09206 148.9
[M+K]+ 206.02140 138.4
[M+H-H2O]+ 150.05550 124.2
[M+HCOO]- 212.05644 151.9
[M+CH3COO]- 226.07209 177.1
[M+Na-2H]- 188.03291 134.8
[M]+ 167.05769 131.4
[M]- 167.05879 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe