CID 21453482

4-acetyl-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C7H7NO2
SMILES
CC(=O)C1=CC(=O)NC=C1
InChI
InChI=1S/C7H7NO2/c1-5(9)6-2-3-8-7(10)4-6/h2-4H,1H3,(H,8,10)
InChIKey
XRXOPYHKDDAWCU-UHFFFAOYSA-N
Compound name
4-acetyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

137.04768 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.054956 123.5
[M+Na]+ 160.036898 132.6
[M-H]- 136.040404 125.1
[M+NH4]+ 155.081503 143.4
[M+K]+ 176.010838 130.5
[M+H-H2O]+ 120.044940 117.9
[M+HCOO]- 182.045881 145.8
[M+CH3COO]- 196.061531 169.5
[M+Na-2H]- 158.022346 130.5
[M]+ 137.04713142 122.6
[M]- 137.04822858 122.6
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