CID 79718

Heptaethylene glycol

Structural Information

Molecular Formula

C₁₄H₃₀O₈

SMILES

C(COCCOCCOCCOCCOCCOCCO)O

InChI

InChI=1S/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2

InChIKey

XPJRQAIZZQMSCM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2190
Patents: 326.19406 Da
Monoisotopic Mass: -2.0
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]+	327.20134	176.8
[M+Na]+	349.18328	181.7
[M+NH4]+	344.22788	179.4
[M+K]+	365.15722	177.9
[M-H]-	325.18678	171.7
[M+Na-2H]-	347.16873	175.0
[M]+	326.19351	175.4
[M]-	326.19461	175.4

Literature stripe

literature stripe

Patent stripe

patents stripe