CID 10997525

1-phenyl-3-azabicyclo[3.1.0]hexan-2-one

Structural Information

Molecular Formula
C11H11NO
SMILES
C1C2C1(C(=O)NC2)C3=CC=CC=C3
InChI
InChI=1S/C11H11NO/c13-10-11(6-9(11)7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)
InChIKey
VQWWQAXEUWHNDU-UHFFFAOYSA-N
Compound name
1-phenyl-3-azabicyclo[3.1.0]hexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

173.08406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 141.1
[M+Na]+ 196.07328 154.9
[M+NH4]+ 191.11788 152.4
[M+K]+ 212.04722 149.1
[M-H]- 172.07678 151.0
[M+Na-2H]- 194.05873 151.2
[M]+ 173.08351 147.1
[M]- 173.08461 147.1
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