CID 12755

1-methyl-2-pyridone

Structural Information

Molecular Formula
C6H7NO
SMILES
CN1C=CC=CC1=O
InChI
InChI=1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey
DVVGIUUJYPYENY-UHFFFAOYSA-N
Compound name
1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

6202
Patents

109.052765 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 117.5
[M+Na]+ 132.04198 131.9
[M+NH4]+ 127.08659 126.6
[M+K]+ 148.01592 125.3
[M-H]- 108.04549 119.5
[M+Na-2H]- 130.02743 125.9
[M]+ 109.05222 120.1
[M]- 109.05331 120.1
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