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 140.9
[M+Na]+ 211.12057 150.5
[M-H]- 187.12407 147.4
[M+NH4]+ 206.16517 157.0
[M+K]+ 227.09451 145.6
[M+H-H2O]+ 171.12861 134.0
[M+HCOO]- 233.12955 163.1
[M+CH3COO]- 247.14520 153.7
[M+Na-2H]- 209.10602 145.6
[M]+ 188.13080 140.7
[M]- 188.13190 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