CID 54426267

933749-31-6

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

C1COC(CO1)CCN

InChI

InChI=1S/C6H13NO2/c7-2-1-6-5-8-3-4-9-6/h6H,1-5,7H2

InChIKey

WEHDGOQZWAEHDK-UHFFFAOYSA-N

Compound name

2-(1,4-dioxan-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 131.09464 Da
Monoisotopic Mass: -0.8
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]+	132.101916	127.8
[M+Na]+	154.083858	132.6
[M-H]-	130.087364	131.4
[M+NH4]+	149.128463	146.3
[M+K]+	170.057798	134.4
[M+H-H2O]+	114.091900	122.1
[M+HCOO]-	176.092841	147.9
[M+CH3COO]-	190.108491	171.6
[M+Na-2H]-	152.069306	135.7
[M]+	131.09409142	124.7
[M]-	131.09518858	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe