CID 2774076

80910-01-6

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

COC1=CC=C(C=C1)COCC2CO2

InChI

InChI=1S/C11H14O3/c1-12-10-4-2-9(3-5-10)6-13-7-11-8-14-11/h2-5,11H,6-8H2,1H3

InChIKey

QWWVSLBMMUDNTB-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenyl)methoxymethyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
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	142.8
[M+Na]+	217.08352	157.2
[M+NH4]+	212.12812	151.9
[M+K]+	233.05746	152.3
[M-H]-	193.08702	154.1
[M+Na-2H]-	215.06897	152.5
[M]+	194.09375	149.2
[M]-	194.09485	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe