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

59
Patents

188.13135 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 142.0
[M+Na]+ 211.12057 155.2
[M+NH4]+ 206.16517 152.3
[M+K]+ 227.09451 151.1
[M-H]- 187.12407 153.0
[M+Na-2H]- 209.10602 150.8
[M]+ 188.13080 148.0
[M]- 188.13190 148.0
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

patents stripe