CID 14694166

51437-90-2

Structural Information

Molecular Formula

C₁₈H₃₀O₃

SMILES

CCCCCCCCC1=CC=C(C=C1)OCCOCCO

InChI

InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)21-16-15-20-14-13-19/h9-12,19H,2-8,13-16H2,1H3

InChIKey

NMTRTIUWHYPKTQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 294.21948 Da
Monoisotopic Mass: 5.1
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]+	295.226756	174.9
[M+Na]+	317.208698	178.7
[M-H]-	293.212204	175.6
[M+NH4]+	312.253303	189.7
[M+K]+	333.182638	175.3
[M+H-H2O]+	277.216740	167.3
[M+HCOO]-	339.217681	195.5
[M+CH3COO]-	353.233331	202.9
[M+Na-2H]-	315.194146	177.0
[M]+	294.21893142	180.9
[M]-	294.22002858	180.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe