CID 19423746

N,n-diethylazetidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CCN(CC)C1CNC1

InChI

InChI=1S/C7H16N2/c1-3-9(4-2)7-5-8-6-7/h7-8H,3-6H2,1-2H3

InChIKey

PVLJDMLMTNKOAG-UHFFFAOYSA-N

Compound name

N,N-diethylazetidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 128.13135 Da
Monoisotopic Mass: 0.4
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]+	129.138626	130.8
[M+Na]+	151.120568	134.8
[M-H]-	127.124074	132.5
[M+NH4]+	146.165173	144.7
[M+K]+	167.094508	137.7
[M+H-H2O]+	111.128610	119.2
[M+HCOO]-	173.129551	151.2
[M+CH3COO]-	187.145201	179.9
[M+Na-2H]-	149.106016	135.9
[M]+	128.13080142	137.2
[M]-	128.13189858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe