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

37
Patents

173.08406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 138.4
[M+Na]+ 196.073278 149.0
[M-H]- 172.076784 144.4
[M+NH4]+ 191.117883 156.5
[M+K]+ 212.047218 144.7
[M+H-H2O]+ 156.081320 132.6
[M+HCOO]- 218.082261 159.1
[M+CH3COO]- 232.097911 151.6
[M+Na-2H]- 194.058726 145.1
[M]+ 173.08351142 138.4
[M]- 173.08460858 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