CID 10154203

Refchem:1048648

Structural Information

Molecular Formula

C₇H₁₆O₄

SMILES

CC(COCCO)OCCO

InChI

InChI=1S/C7H16O4/c1-7(11-5-3-9)6-10-4-2-8/h7-9H,2-6H2,1H3

InChIKey

OQNWUUGFAWNUME-UHFFFAOYSA-N

Compound name

2-[2-(2-hydroxyethoxy)propoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4140
References: 1321
Patents: 164.10486 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]+	165.112136	136.8
[M+Na]+	187.094078	142.4
[M-H]-	163.097584	134.0
[M+NH4]+	182.138683	156.1
[M+K]+	203.068018	142.4
[M+H-H2O]+	147.102120	132.0
[M+HCOO]-	209.103061	157.2
[M+CH3COO]-	223.118711	173.7
[M+Na-2H]-	185.079526	141.0
[M]+	164.10431142	139.8
[M]-	164.10540858	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe