CID 105431272

4-phenyl-2-azabicyclo[2.1.1]hexane hydrochloride

Structural Information

Molecular Formula
C11H13N
SMILES
C1C2CC1(CN2)C3=CC=CC=C3
InChI
InChI=1S/C11H13N/c1-2-4-9(5-3-1)11-6-10(7-11)12-8-11/h1-5,10,12H,6-8H2
InChIKey
IEWSXDOEZYRZQD-UHFFFAOYSA-N
Compound name
4-phenyl-2-azabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.1048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11208 125.8
[M+Na]+ 182.09402 132.0
[M+NH4]+ 177.13862 134.4
[M+K]+ 198.06796 128.9
[M-H]- 158.09752 123.7
[M+Na-2H]- 180.07947 127.4
[M]+ 159.10425 125.0
[M]- 159.10535 125.0
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.