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]+ 152.070596 127.4
[M+Na]+ 174.052538 137.1
[M-H]- 150.056044 129.2
[M+NH4]+ 169.097143 147.1
[M+K]+ 190.026478 134.7
[M+H-H2O]+ 134.060580 121.9
[M+HCOO]- 196.061521 149.4
[M+CH3COO]- 210.077171 173.8
[M+Na-2H]- 172.037986 133.2
[M]+ 151.06277142 127.3
[M]- 151.06386858 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.