CID 117272744

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

Structural Information

Molecular Formula
C12H15N
SMILES
C1C2CC1(NC2)CC3=CC=CC=C3
InChI
InChI=1S/C12H15N/c1-2-4-10(5-3-1)6-12-7-11(8-12)9-13-12/h1-5,11,13H,6-9H2
InChIKey
ORWRJSBXOLUNMV-UHFFFAOYSA-N
Compound name
1-benzyl-2-azabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 141.4
[M+Na]+ 196.10967 147.6
[M-H]- 172.11317 143.4
[M+NH4]+ 191.15427 162.4
[M+K]+ 212.08361 146.3
[M+H-H2O]+ 156.11771 132.7
[M+HCOO]- 218.11865 158.2
[M+CH3COO]- 232.13430 153.5
[M+Na-2H]- 194.09512 149.1
[M]+ 173.11990 151.3
[M]- 173.12100 151.3
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.