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

38
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 138.4
[M+Na]+ 196.07328 149.0
[M-H]- 172.07678 144.4
[M+NH4]+ 191.11788 156.5
[M+K]+ 212.04722 144.7
[M+H-H2O]+ 156.08132 132.6
[M+HCOO]- 218.08226 159.1
[M+CH3COO]- 232.09791 151.6
[M+Na-2H]- 194.05873 145.1
[M]+ 173.08351 138.4
[M]- 173.08461 138.4
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