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]+ 174.127726 141.4
[M+Na]+ 196.109668 147.6
[M-H]- 172.113174 143.4
[M+NH4]+ 191.154273 162.4
[M+K]+ 212.083608 146.3
[M+H-H2O]+ 156.117710 132.7
[M+HCOO]- 218.118651 158.2
[M+CH3COO]- 232.134301 153.5
[M+Na-2H]- 194.095116 149.1
[M]+ 173.11990142 151.3
[M]- 173.12099858 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.