CID 10931563

2-(2-ethyl-[1,3]dioxolan-2-yl)-ethylamine

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCC1(OCCO1)CCN

InChI

InChI=1S/C7H15NO2/c1-2-7(3-4-8)9-5-6-10-7/h2-6,8H2,1H3

InChIKey

XBJOWTKIJYWPTA-UHFFFAOYSA-N

Compound name

2-(2-ethyl-1,3-dioxolan-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 145.11028 Da
Monoisotopic Mass: 0.0
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]+	146.117556	130.7
[M+Na]+	168.099498	136.8
[M-H]-	144.103004	134.6
[M+NH4]+	163.144103	152.5
[M+K]+	184.073438	138.5
[M+H-H2O]+	128.107540	126.3
[M+HCOO]-	190.108481	152.6
[M+CH3COO]-	204.124131	173.9
[M+Na-2H]-	166.084946	138.1
[M]+	145.10973142	130.3
[M]-	145.11082858	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe