CID 70482

2-hydroxy-5-methylpyridine

Structural Information

Molecular Formula
C6H7NO
SMILES
CC1=CNC(=O)C=C1
InChI
InChI=1S/C6H7NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8)
InChIKey
SOHMZGMHXUQHGE-UHFFFAOYSA-N
Compound name
5-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8561
Patents

109.052765 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 116.9
[M+Na]+ 132.04198 126.5
[M-H]- 108.04549 118.5
[M+NH4]+ 127.08659 138.1
[M+K]+ 148.01592 124.3
[M+H-H2O]+ 92.050025 111.5
[M+HCOO]- 154.05097 140.1
[M+CH3COO]- 168.06662 164.5
[M+Na-2H]- 130.02743 125.7
[M]+ 109.05222 115.5
[M]- 109.05331 115.5
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