CID 10130094

1-phenyl-3-azabicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C11H13N
SMILES
C1C2C1(CNC2)C3=CC=CC=C3
InChI
InChI=1S/C11H13N/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11/h1-5,10,12H,6-8H2
InChIKey
HYXPTPHIWQWOQF-UHFFFAOYSA-N
Compound name
1-phenyl-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

132
Patents

159.1048 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.112076 135.3
[M+Na]+ 182.094018 144.8
[M-H]- 158.097524 140.9
[M+NH4]+ 177.138623 153.8
[M+K]+ 198.067958 140.9
[M+H-H2O]+ 142.102060 129.2
[M+HCOO]- 204.103001 155.8
[M+CH3COO]- 218.118651 148.3
[M+Na-2H]- 180.079466 142.7
[M]+ 159.10425142 134.2
[M]- 159.10534858 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe