CID 6453994

5,6-dihydropyridin-2(1h)-one

Structural Information

Molecular Formula
C5H7NO
SMILES
C1CNC(=O)C=C1
InChI
InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1,3H,2,4H2,(H,6,7)
InChIKey
OXRRHYRRQWIHIV-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-pyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

739
Patents

97.052765 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 117.4
[M+Na]+ 120.04198 129.1
[M+NH4]+ 115.08659 126.1
[M+K]+ 136.01592 123.3
[M-H]- 96.045489 118.5
[M+Na-2H]- 118.02743 123.8
[M]+ 97.052216 119.1
[M]- 97.053314 119.1
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