CID 165881087

4-phenyl-2-azabicyclo[2.1.1]hexan-3-one

Structural Information

Molecular Formula
C11H11NO
SMILES
C1C2CC1(C(=O)N2)C3=CC=CC=C3
InChI
InChI=1S/C11H11NO/c13-10-11(6-9(7-11)12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)
InChIKey
ZWYZKVJCBJUWLV-UHFFFAOYSA-N
Compound name
4-phenyl-2-azabicyclo[2.1.1]hexan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 139.3
[M+Na]+ 196.07328 146.7
[M-H]- 172.07678 141.7
[M+NH4]+ 191.11788 160.4
[M+K]+ 212.04722 145.6
[M+H-H2O]+ 156.08132 131.1
[M+HCOO]- 218.08226 156.6
[M+CH3COO]- 232.09791 151.9
[M+Na-2H]- 194.05873 147.0
[M]+ 173.08351 149.9
[M]- 173.08461 149.9
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

No patent data available for this compound.