CID 51143

Pentadecyl ethyleneglycol monoether

Structural Information

Molecular Formula

C₁₇H₃₆O₂

SMILES

CCCCCCCCCCCCCCCOCCO

InChI

InChI=1S/C17H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18/h18H,2-17H2,1H3

InChIKey

VZXORAZVOZRPBU-UHFFFAOYSA-N

Compound name

2-pentadecoxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 272.27155 Da
Monoisotopic Mass: 6.7
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]+	273.27883	175.5
[M+Na]+	295.26077	177.7
[M-H]-	271.26427	172.2
[M+NH4]+	290.30537	191.4
[M+K]+	311.23471	174.6
[M+H-H2O]+	255.26881	168.9
[M+HCOO]-	317.26975	194.6
[M+CH3COO]-	331.28540	201.6
[M+Na-2H]-	293.24622	176.2
[M]+	272.27100	182.0
[M]-	272.27210	182.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe