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

156
Patents

109.052765 Da
Monoisotopic Mass

0.5
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

No literature data available for this compound.

Patent stripe

patents stripe