CID 104596

Tetraethylene oxide monocresylate

Structural Information

Molecular Formula

C₁₅H₂₄O₅

SMILES

CC1=CC=C(C=C1)OCCOCCOCCOCCO

InChI

InChI=1S/C15H24O5/c1-14-2-4-15(5-3-14)20-13-12-19-11-10-18-9-8-17-7-6-16/h2-5,16H,6-13H2,1H3

InChIKey

ZYOIAYZVRHEJGD-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 284.16238 Da
Monoisotopic Mass: 1.1
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]+	285.169656	166.5
[M+Na]+	307.151598	171.4
[M-H]-	283.155104	167.7
[M+NH4]+	302.196203	181.5
[M+K]+	323.125538	169.8
[M+H-H2O]+	267.159640	159.0
[M+HCOO]-	329.160581	188.6
[M+CH3COO]-	343.176231	198.0
[M+Na-2H]-	305.137046	170.4
[M]+	284.16183142	174.3
[M]-	284.16292858	174.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe