CID 18327116

2-(octylphenoxy)ethanol

Structural Information

Molecular Formula

C₁₆H₂₆O₂

SMILES

CCCCCCCCC1=CC=CC=C1OCCO

InChI

InChI=1S/C16H26O2/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)18-14-13-17/h8-9,11-12,17H,2-7,10,13-14H2,1H3

InChIKey

GLDUZMNCEGHSBP-UHFFFAOYSA-N

Compound name

2-(2-octylphenoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1221
Patents: 250.19328 Da
Monoisotopic Mass: 5.3
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]+	251.20056	162.3
[M+Na]+	273.18250	173.8
[M+NH4]+	268.22710	169.9
[M+K]+	289.15644	165.6
[M-H]-	249.18600	164.1
[M+Na-2H]-	271.16795	167.6
[M]+	250.19273	164.4
[M]-	250.19383	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe