CID 10420145

104857-48-9

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

C1C(O1)COC2=CC=C(C=C2)CCO

InChI

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

InChIKey

XGTFFRCLROZLAD-UHFFFAOYSA-N

Compound name

2-[4-(oxiran-2-ylmethoxy)phenyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
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]+	195.101576	139.5
[M+Na]+	217.083518	148.5
[M-H]-	193.087024	146.5
[M+NH4]+	212.128123	152.4
[M+K]+	233.057458	147.0
[M+H-H2O]+	177.091560	132.7
[M+HCOO]-	239.092501	162.1
[M+CH3COO]-	253.108151	183.7
[M+Na-2H]-	215.068966	147.0
[M]+	194.09375142	144.8
[M]-	194.09484858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe