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

38
Patents

139.06332 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 124.7
[M+Na]+ 162.052538 135.3
[M-H]- 138.056044 125.5
[M+NH4]+ 157.097143 144.6
[M+K]+ 178.026478 132.4
[M+H-H2O]+ 122.060580 119.7
[M+HCOO]- 184.061521 146.3
[M+CH3COO]- 198.077171 169.4
[M+Na-2H]- 160.037986 131.0
[M]+ 139.06277142 124.1
[M]- 139.06386858 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