CID 90207

23601-40-3

Structural Information

Molecular Formula

C₁₃H₂₈O₇

SMILES

COCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C13H28O7/c1-15-4-5-17-8-9-19-12-13-20-11-10-18-7-6-16-3-2-14/h14H,2-13H2,1H3

InChIKey

FHHGCKHKTAJLOM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1787
Patents: 296.1835 Da
Monoisotopic Mass: -1.3
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]+	297.190776	168.5
[M+Na]+	319.172718	171.8
[M-H]-	295.176224	165.7
[M+NH4]+	314.217323	182.9
[M+K]+	335.146658	172.4
[M+H-H2O]+	279.180760	161.4
[M+HCOO]-	341.181701	190.1
[M+CH3COO]-	355.197351	199.4
[M+Na-2H]-	317.158166	171.8
[M]+	296.18295142	180.8
[M]-	296.18404858	180.8

Literature stripe

literature stripe

Patent stripe

patents stripe