CID 9920467

3,7-dioxa-1,9-nonanediol

Structural Information

Molecular Formula

C₇H₁₆O₄

SMILES

C(COCCO)COCCO

InChI

InChI=1S/C7H16O4/c8-2-6-10-4-1-5-11-7-3-9/h8-9H,1-7H2

InChIKey

KXSKAZFMTGADIV-UHFFFAOYSA-N

Compound name

2-[3-(2-hydroxyethoxy)propoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1697
Patents: 164.10486 Da
Monoisotopic Mass: -1.1
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]+	165.11214	136.0
[M+Na]+	187.09408	141.8
[M-H]-	163.09758	133.1
[M+NH4]+	182.13868	155.3
[M+K]+	203.06802	141.4
[M+H-H2O]+	147.10212	131.1
[M+HCOO]-	209.10306	157.4
[M+CH3COO]-	223.11871	172.9
[M+Na-2H]-	185.07953	141.6
[M]+	164.10431	139.7
[M]-	164.10541	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe