CID 11745107

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

Structural Information

Molecular Formula
C11H11NO
SMILES
C1C(NC=CC1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H11NO/c13-10-6-7-12-11(8-10)9-4-2-1-3-5-9/h1-7,11-12H,8H2
InChIKey
UHNSISVZKUXMPN-UHFFFAOYSA-N
Compound name
2-phenyl-2,3-dihydro-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

173.08406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 136.0
[M+Na]+ 196.07328 142.7
[M-H]- 172.07678 139.7
[M+NH4]+ 191.11788 153.9
[M+K]+ 212.04722 138.8
[M+H-H2O]+ 156.08132 128.8
[M+HCOO]- 218.08226 156.2
[M+CH3COO]- 232.09791 176.0
[M+Na-2H]- 194.05873 142.7
[M]+ 173.08351 131.0
[M]- 173.08461 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe