CID 122197553

(4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid

Structural Information

Molecular Formula
C9H11NO4
SMILES
CC1=C(NC(=O)C(=C1O)C)CC(=O)O
InChI
InChI=1S/C9H11NO4/c1-4-6(3-7(11)12)10-9(14)5(2)8(4)13/h3H2,1-2H3,(H,11,12)(H2,10,13,14)
InChIKey
AVBVBQSPVBVXPJ-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-3,5-dimethyl-6-oxo-1H-pyridin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0688 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 138.8
[M+Na]+ 220.058018 148.7
[M-H]- 196.061524 138.3
[M+NH4]+ 215.102623 155.5
[M+K]+ 236.031958 145.5
[M+H-H2O]+ 180.066060 133.5
[M+HCOO]- 242.067001 157.7
[M+CH3COO]- 256.082651 178.8
[M+Na-2H]- 218.043466 141.5
[M]+ 197.06825142 138.9
[M]- 197.06934858 138.9
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

No patent data available for this compound.