CID 56962144

1-benzyl-1,6-diazaspiro[3.3]heptane dihydrochloride

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

C1CN(C12CNC2)CC3=CC=CC=C3

InChI

InChI=1S/C12H16N2/c1-2-4-11(5-3-1)8-14-7-6-12(14)9-13-10-12/h1-5,13H,6-10H2

InChIKey

CNNOPAFADPEJRD-UHFFFAOYSA-N

Compound name

1-benzyl-1,6-diazaspiro[3.3]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 188.13135 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]+	189.13863	141.1
[M+Na]+	211.12057	144.6
[M+NH4]+	206.16517	143.3
[M+K]+	227.09451	140.2
[M-H]-	187.12407	139.3
[M+Na-2H]-	209.10602	145.2
[M]+	188.13080	139.0
[M]-	188.13190	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe