CID 10104081

160951-57-5

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

C1C(O1)COC2=CC=CC=C2CCO

InChI

InChI=1S/C11H14O3/c12-6-5-9-3-1-2-4-11(9)14-8-10-7-13-10/h1-4,10,12H,5-8H2

InChIKey

QNDZOBZHSUMVSM-UHFFFAOYSA-N

Compound name

2-[2-(oxiran-2-ylmethoxy)phenyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 194.0943 Da
Monoisotopic Mass: 1.2
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]+	195.10158	139.5
[M+Na]+	217.08352	148.5
[M-H]-	193.08702	146.5
[M+NH4]+	212.12812	152.4
[M+K]+	233.05746	147.0
[M+H-H2O]+	177.09156	132.7
[M+HCOO]-	239.09250	162.1
[M+CH3COO]-	253.10815	183.7
[M+Na-2H]-	215.06897	147.0
[M]+	194.09375	144.7
[M]-	194.09485	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe