CID 12223638

1,2,3,4-tetrahydropyridin-4-one

Structural Information

Molecular Formula
C5H7NO
SMILES
C1CNC=CC1=O
InChI
InChI=1S/C5H7NO/c7-5-1-3-6-4-2-5/h1,3,6H,2,4H2
InChIKey
PLYNVXKJUKCUOF-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

97.052765 Da
Monoisotopic Mass

0.0
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