CID 72214113

1-(4-hydroxy-6-methylpyridin-3-yl)ethan-1-one

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1=CC(=O)C(=CN1)C(=O)C
InChI
InChI=1S/C8H9NO2/c1-5-3-8(11)7(4-9-5)6(2)10/h3-4H,1-2H3,(H,9,11)
InChIKey
PKFWOLKLFSIVNX-UHFFFAOYSA-N
Compound name
5-acetyl-2-methyl-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06332 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 127.4
[M+Na]+ 174.05254 137.1
[M-H]- 150.05604 129.2
[M+NH4]+ 169.09714 147.1
[M+K]+ 190.02648 134.7
[M+H-H2O]+ 134.06058 121.9
[M+HCOO]- 196.06152 149.4
[M+CH3COO]- 210.07717 173.8
[M+Na-2H]- 172.03799 133.2
[M]+ 151.06277 127.3
[M]- 151.06387 127.3
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

No patent data available for this compound.