CID 78099

1,3-dioxolane-2-propylamine

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

C1COC(O1)CCCN

InChI

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

InChIKey

STONKUXQDYRNTK-UHFFFAOYSA-N

Compound name

3-(1,3-dioxolan-2-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 131.09464 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]+	132.101916	127.7
[M+Na]+	154.083858	133.2
[M-H]-	130.087364	131.3
[M+NH4]+	149.128463	147.9
[M+K]+	170.057798	134.9
[M+H-H2O]+	114.091900	122.4
[M+HCOO]-	176.092841	149.8
[M+CH3COO]-	190.108491	171.3
[M+Na-2H]-	152.069306	134.3
[M]+	131.09409142	126.5
[M]-	131.09518858	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe