CID 576020

2-[2-(2-hydroxyethyl)-1,3-dioxolan-2-yl]ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₄O₄

SMILES

C1COC(O1)(CCO)CCO

InChI

InChI=1S/C7H14O4/c8-3-1-7(2-4-9)10-5-6-11-7/h8-9H,1-6H2

InChIKey

OQISMXPUYQRVLR-UHFFFAOYSA-N

Compound name

2-[2-(2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 162.0892 Da
Monoisotopic Mass: -1.0
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]+	163.096476	133.0
[M+Na]+	185.078418	139.0
[M-H]-	161.081924	134.6
[M+NH4]+	180.123023	153.2
[M+K]+	201.052358	140.2
[M+H-H2O]+	145.086460	129.2
[M+HCOO]-	207.087401	151.9
[M+CH3COO]-	221.103051	168.7
[M+Na-2H]-	183.063866	140.4
[M]+	162.08865142	133.5
[M]-	162.08974858	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe