CID 280741

2-hydroxy-4-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2015
Patents

109.052765 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.060041 116.9
[M+Na]+ 132.041983 126.5
[M-H]- 108.045489 118.5
[M+NH4]+ 127.086588 138.1
[M+K]+ 148.015923 124.3
[M+H-H2O]+ 92.050025 111.5
[M+HCOO]- 154.050966 140.1
[M+CH3COO]- 168.066616 164.5
[M+Na-2H]- 130.027431 125.7
[M]+ 109.05221642 115.5
[M]- 109.05331358 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