CID 11076957

86259-87-2

Structural Information

Molecular Formula

C₁₅H₂₄O₅

SMILES

C1=CC=C(C=C1)COCCOCCOCCOCCO

InChI

InChI=1S/C15H24O5/c16-6-7-17-8-9-18-10-11-19-12-13-20-14-15-4-2-1-3-5-15/h1-5,16H,6-14H2

InChIKey

QDPIVUQXPXUNLN-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 305
Patents: 284.16238 Da
Monoisotopic Mass: 0.4
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	166.7
[M+Na]+	307.151598	170.6
[M-H]-	283.155104	167.4
[M+NH4]+	302.196203	181.4
[M+K]+	323.125538	169.0
[M+H-H2O]+	267.159640	158.9
[M+HCOO]-	329.160581	188.7
[M+CH3COO]-	343.176231	196.8
[M+Na-2H]-	305.137046	171.2
[M]+	284.16183142	174.0
[M]-	284.16292858	174.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe