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]+ 174.091336 139.3
[M+Na]+ 196.073278 146.7
[M-H]- 172.076784 141.7
[M+NH4]+ 191.117883 160.4
[M+K]+ 212.047218 145.6
[M+H-H2O]+ 156.081320 131.1
[M+HCOO]- 218.082261 156.6
[M+CH3COO]- 232.097911 151.9
[M+Na-2H]- 194.058726 147.0
[M]+ 173.08351142 149.9
[M]- 173.08460858 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.