CID 54723378

4664-13-5

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1=CC(=C(C(=O)N1)C)O
InChI
InChI=1S/C7H9NO2/c1-4-3-6(9)5(2)7(10)8-4/h3H,1-2H3,(H2,8,9,10)
InChIKey
XMUOZGAKXBMOGL-UHFFFAOYSA-N
Compound name
4-hydroxy-3,6-dimethyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

139.06332 Da
Monoisotopic Mass

0.3
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

No literature data available for this compound.

Patent stripe

patents stripe