CID 113547

2,4,6,9,12-pentaoxahexadecan-1-ol

Structural Information

Molecular Formula

C₁₁H₂₄O₆

SMILES

CCCCOCCOCCOCOCOCO

InChI

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

InChIKey

GFOGXEVYGYEXEE-UHFFFAOYSA-N

Compound name

2-(2-butoxyethoxy)ethoxymethoxymethoxymethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.15729 Da
Monoisotopic Mass: 0.0
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]+	253.164566	157.8
[M+Na]+	275.146508	162.2
[M-H]-	251.150014	155.5
[M+NH4]+	270.191113	174.2
[M+K]+	291.120448	162.7
[M+H-H2O]+	235.154550	151.4
[M+HCOO]-	297.155491	179.9
[M+CH3COO]-	311.171141	191.5
[M+Na-2H]-	273.131956	162.0
[M]+	252.15674142	167.9
[M]-	252.15783858	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.