CID 68165

Dipropoxymethane

Structural Information

Molecular Formula

C₇H₁₆O₂

SMILES

CCCOCOCCC

InChI

InChI=1S/C7H16O2/c1-3-5-8-7-9-6-4-2/h3-7H2,1-2H3

InChIKey

HOMDJHGZAAKUQV-UHFFFAOYSA-N

Compound name

1-(propoxymethoxy)propane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1116
Patents: 132.11504 Da
Monoisotopic Mass: 2.0
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]+	133.12232	128.3
[M+Na]+	155.10426	138.8
[M+NH4]+	150.14886	136.4
[M+K]+	171.07820	132.6
[M-H]-	131.10776	128.0
[M+Na-2H]-	153.08971	132.4
[M]+	132.11449	129.5
[M]-	132.11559	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe