CID 40540

52814-38-7

Structural Information

Molecular Formula

C₉H₁₈O₄

SMILES

C1CC(OC1)COCCOCCO

InChI

InChI=1S/C9H18O4/c10-3-5-11-6-7-12-8-9-2-1-4-13-9/h9-10H,1-8H2

InChIKey

XOTDXFVGTLWKLI-UHFFFAOYSA-N

Compound name

2-[2-(oxolan-2-ylmethoxy)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 34
Patents: 190.12051 Da
Monoisotopic Mass: -0.3
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]+	191.12779	142.6
[M+Na]+	213.10973	150.6
[M+NH4]+	208.15433	149.6
[M+K]+	229.08367	147.8
[M-H]-	189.11323	143.4
[M+Na-2H]-	211.09518	144.6
[M]+	190.11996	143.5
[M]-	190.12106	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe