CID 104564013

1920136-92-0

Structural Information

Molecular Formula

C₁₄H₂₂O₅

SMILES

COCCOCCOCCOC1=CC=CC(=C1)CO

InChI

InChI=1S/C14H22O5/c1-16-5-6-17-7-8-18-9-10-19-14-4-2-3-13(11-14)12-15/h2-4,11,15H,5-10,12H2,1H3

InChIKey

KECMFAIRSUVGKR-UHFFFAOYSA-N

Compound name

[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 270.14673 Da
Monoisotopic Mass: 0.6
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]+	271.154006	161.9
[M+Na]+	293.135948	167.2
[M-H]-	269.139454	163.3
[M+NH4]+	288.180553	177.5
[M+K]+	309.109888	166.0
[M+H-H2O]+	253.143990	154.6
[M+HCOO]-	315.144931	184.4
[M+CH3COO]-	329.160581	195.0
[M+Na-2H]-	291.121396	166.3
[M]+	270.14618142	169.4
[M]-	270.14727858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe