CID 6454510

15-methyl-2,5,8,11,14-pentaoxahexadecane

Structural Information

Molecular Formula

C₁₂H₂₆O₅

SMILES

CC(C)OCCOCCOCCOCCOC

InChI

InChI=1S/C12H26O5/c1-12(2)17-11-10-16-9-8-15-7-6-14-5-4-13-3/h12H,4-11H2,1-3H3

InChIKey

ZZFNGRIOLQBARJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 250.17802 Da
Monoisotopic Mass: 0.3
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]+	251.185296	161.0
[M+Na]+	273.167238	165.3
[M-H]-	249.170744	160.1
[M+NH4]+	268.211843	178.2
[M+K]+	289.141178	166.4
[M+H-H2O]+	233.175280	154.5
[M+HCOO]-	295.176221	183.0
[M+CH3COO]-	309.191871	195.9
[M+Na-2H]-	271.152686	163.7
[M]+	250.17747142	171.2
[M]-	250.17856858	171.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe