CID 12781826

83072-49-5

Structural Information

Molecular Formula

C₁₆H₁₈O₃

SMILES

C1=CC=C(C=C1)C(COCC(C2=CC=CC=C2)O)O

InChI

InChI=1S/C16H18O3/c17-15(13-7-3-1-4-8-13)11-19-12-16(18)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2

InChIKey

YUFBLWYGGOUMMA-UHFFFAOYSA-N

Compound name

2-(2-hydroxy-2-phenylethoxy)-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 258.12558 Da
Monoisotopic Mass: 1.8
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]+	259.132856	160.2
[M+Na]+	281.114798	164.2
[M-H]-	257.118304	163.4
[M+NH4]+	276.159403	174.7
[M+K]+	297.088738	160.7
[M+H-H2O]+	241.122840	152.6
[M+HCOO]-	303.123781	179.4
[M+CH3COO]-	317.139431	190.8
[M+Na-2H]-	279.100246	163.7
[M]+	258.12503142	159.2
[M]-	258.12612858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe