CID 13581

929-37-3

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

C=COCCOCCO

InChI

InChI=1S/C6H12O3/c1-2-8-5-6-9-4-3-7/h2,7H,1,3-6H2

InChIKey

WULAHPYSGCVQHM-UHFFFAOYSA-N

Compound name

2-(2-ethenoxyethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 16033
Patents: 132.07864 Da
Monoisotopic Mass: 0.0
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]+	133.08592	126.7
[M+Na]+	155.06786	133.8
[M-H]-	131.07136	125.5
[M+NH4]+	150.11246	148.1
[M+K]+	171.04180	133.4
[M+H-H2O]+	115.07590	122.2
[M+HCOO]-	177.07684	149.9
[M+CH3COO]-	191.09249	169.5
[M+Na-2H]-	153.05331	133.4
[M]+	132.07809	129.8
[M]-	132.07919	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe