CID 12280547

60403-96-5

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1=CC(=O)C(=CN1C)O
InChI
InChI=1S/C7H9NO2/c1-5-3-6(9)7(10)4-8(5)2/h3-4,10H,1-2H3
InChIKey
BHUURRZNXRDROF-UHFFFAOYSA-N
Compound name
5-hydroxy-1,2-dimethylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

30
Patents

139.06332 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 125.3
[M+Na]+ 162.05254 139.2
[M+NH4]+ 157.09714 133.3
[M+K]+ 178.02648 133.6
[M-H]- 138.05604 126.3
[M+Na-2H]- 160.03799 131.9
[M]+ 139.06277 127.5
[M]- 139.06387 127.5
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