CID 65351037

1-(1,4-dioxan-2-yl)propan-1-amine

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCC(C1COCCO1)N

InChI

InChI=1S/C7H15NO2/c1-2-6(8)7-5-9-3-4-10-7/h6-7H,2-5,8H2,1H3

InChIKey

RSPXUAINBXZBFJ-UHFFFAOYSA-N

Compound name

1-(1,4-dioxan-2-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 145.11028 Da
Monoisotopic Mass: -0.2
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]+	146.11756	132.3
[M+Na]+	168.09950	141.8
[M+NH4]+	163.14410	140.5
[M+K]+	184.07344	137.8
[M-H]-	144.10300	136.7
[M+Na-2H]-	166.08495	135.8
[M]+	145.10973	134.7
[M]-	145.11083	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.