CID 10313171

2,6-dihydroxy-3,4-dimethylpyridine

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1=CC(=O)NC(=C1C)O
InChI
InChI=1S/C7H9NO2/c1-4-3-6(9)8-7(10)5(4)2/h3H,1-2H3,(H2,8,9,10)
InChIKey
KIEGFAYDOKCBOK-UHFFFAOYSA-N
Compound name
6-hydroxy-4,5-dimethyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4594
Patents

139.06332 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 124.7
[M+Na]+ 162.05254 135.3
[M-H]- 138.05604 125.5
[M+NH4]+ 157.09714 144.6
[M+K]+ 178.02648 132.4
[M+H-H2O]+ 122.06058 119.7
[M+HCOO]- 184.06152 146.3
[M+CH3COO]- 198.07717 169.4
[M+Na-2H]- 160.03799 131.0
[M]+ 139.06277 124.1
[M]- 139.06387 124.1
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