CID 117272745

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

Structural Information

Molecular Formula
C11H13N
SMILES
C1C2CC1(NC2)C3=CC=CC=C3
InChI
InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-9(7-11)8-12-11/h1-5,9,12H,6-8H2
InChIKey
XGNBBZIYJQLHAP-UHFFFAOYSA-N
Compound name
1-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

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11208 136.7
[M+Na]+ 182.09402 143.3
[M-H]- 158.09752 138.8
[M+NH4]+ 177.13862 158.2
[M+K]+ 198.06796 142.2
[M+H-H2O]+ 142.10206 128.2
[M+HCOO]- 204.10300 153.8
[M+CH3COO]- 218.11865 149.2
[M+Na-2H]- 180.07947 144.9
[M]+ 159.10425 146.2
[M]- 159.10535 146.2
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.