CID 79404

2,5,8,10,13,16-hexaoxaheptadecane

Structural Information

Molecular Formula

C₁₁H₂₄O₆

SMILES

COCCOCCOCOCCOCCOC

InChI

InChI=1S/C11H24O6/c1-12-3-5-14-7-9-16-11-17-10-8-15-6-4-13-2/h3-11H2,1-2H3

InChIKey

SMBXIGKPAGOPPF-UHFFFAOYSA-N

Compound name

1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxymethoxy]ethoxy]ethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 14
Patents: 252.15729 Da
Monoisotopic Mass: -0.7
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	157.5
[M+Na]+	275.146508	162.3
[M-H]-	251.150014	156.6
[M+NH4]+	270.191113	174.6
[M+K]+	291.120448	163.7
[M+H-H2O]+	235.154550	150.9
[M+HCOO]-	297.155491	181.0
[M+CH3COO]-	311.171141	194.1
[M+Na-2H]-	273.131956	162.2
[M]+	252.15674142	169.5
[M]-	252.15783858	169.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe