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

28
Patents

173.08406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 136.0
[M+Na]+ 196.073278 142.7
[M-H]- 172.076784 139.7
[M+NH4]+ 191.117883 153.9
[M+K]+ 212.047218 138.8
[M+H-H2O]+ 156.081320 128.8
[M+HCOO]- 218.082261 156.2
[M+CH3COO]- 232.097911 176.0
[M+Na-2H]- 194.058726 142.7
[M]+ 173.08351142 131.0
[M]- 173.08460858 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