CID 18506997

3-benzyl-3-azabicyclo[3.1.0]hexan-6-amine dihydrochloride

Structural Information

Molecular Formula
C12H16N2
SMILES
C1C2C(C2N)CN1CC3=CC=CC=C3
InChI
InChI=1S/C12H16N2/c13-12-10-7-14(8-11(10)12)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8,13H2
InChIKey
AWZOKHOIEDMSLL-UHFFFAOYSA-N
Compound name
3-benzyl-3-azabicyclo[3.1.0]hexan-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

188.13135 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.138626 140.9
[M+Na]+ 211.120568 150.5
[M-H]- 187.124074 147.4
[M+NH4]+ 206.165173 157.0
[M+K]+ 227.094508 145.6
[M+H-H2O]+ 171.128610 134.0
[M+HCOO]- 233.129551 163.1
[M+CH3COO]- 247.145201 153.7
[M+Na-2H]- 209.106016 145.6
[M]+ 188.13080142 140.7
[M]- 188.13189858 140.7
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

patents stripe