CID 10898648

57147-25-8

Structural Information

Molecular Formula
C5H7NO
SMILES
C1CC(=O)NC=C1
InChI
InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h2,4H,1,3H2,(H,6,7)
InChIKey
ZPOODPZCZLCUAN-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

1757
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 116.5
[M+Na]+ 120.04198 123.4
[M-H]- 96.045489 117.1
[M+NH4]+ 115.08659 137.5
[M+K]+ 136.01592 121.9
[M+H-H2O]+ 80.050025 110.9
[M+HCOO]- 142.05097 137.1
[M+CH3COO]- 156.06662 161.0
[M+Na-2H]- 118.02743 124.4
[M]+ 97.052216 111.4
[M]- 97.053314 111.4
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