CID 136515

1-methyl-4(1h)-pyridinone

Structural Information

Molecular Formula
C6H7NO
SMILES
CN1C=CC(=O)C=C1
InChI
InChI=1S/C6H7NO/c1-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey
OYPBUQASUUMJKG-UHFFFAOYSA-N
Compound name
1-methylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

296
Patents

109.052765 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 115.8
[M+Na]+ 132.04198 125.9
[M-H]- 108.04549 118.9
[M+NH4]+ 127.08659 137.8
[M+K]+ 148.01592 124.6
[M+H-H2O]+ 92.050025 110.2
[M+HCOO]- 154.05097 140.6
[M+CH3COO]- 168.06662 167.2
[M+Na-2H]- 130.02743 125.2
[M]+ 109.05222 116.4
[M]- 109.05331 116.4
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