CID 20090019

1909337-64-9

Structural Information

Molecular Formula

C₁₃H₁₈N₂

SMILES

C1C2C(C2CN)CN1CC3=CC=CC=C3

InChI

InChI=1S/C13H18N2/c14-6-11-12-8-15(9-13(11)12)7-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2

InChIKey

UNLBCCJUBAVNHR-UHFFFAOYSA-N

Compound name

(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 202.147 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.15428	145.1
[M+Na]+	225.13622	154.2
[M-H]-	201.13972	151.4
[M+NH4]+	220.18082	160.6
[M+K]+	241.11016	149.1
[M+H-H2O]+	185.14426	138.1
[M+HCOO]-	247.14520	167.0
[M+CH3COO]-	261.16085	157.5
[M+Na-2H]-	223.12167	149.3
[M]+	202.14645	145.3
[M]-	202.14755	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe