CID 90255

23778-52-1

Structural Information

Molecular Formula

C₁₁H₂₄O₆

SMILES

COCCOCCOCCOCCOCCO

InChI

InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3

InChIKey

SLNYBUIEAMRFSZ-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 1039
Patents: 252.15729 Da
Monoisotopic Mass: -1.2
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]+	253.16457	157.8
[M+Na]+	275.14651	162.2
[M-H]-	251.15001	155.5
[M+NH4]+	270.19111	174.2
[M+K]+	291.12045	162.7
[M+H-H2O]+	235.15455	151.4
[M+HCOO]-	297.15549	179.9
[M+CH3COO]-	311.17114	191.5
[M+Na-2H]-	273.13196	162.0
[M]+	252.15674	167.9
[M]-	252.15784	167.9

Literature stripe

literature stripe

Patent stripe

patents stripe