CID 2762918

3-methylpyridin-4-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

109.052765 Da
Monoisotopic Mass

0.5
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

No literature data available for this compound.

Patent stripe

patents stripe