CID 3845618

80910-00-5

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

COC1=CC=CC(=C1)COCC2CO2

InChI

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

InChIKey

LLMPTTXLKBKWGL-UHFFFAOYSA-N

Compound name

2-[(3-methoxyphenyl)methoxymethyl]oxirane

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	140.6
[M+Na]+	217.08352	150.0
[M-H]-	193.08702	149.0
[M+NH4]+	212.12812	154.2
[M+K]+	233.05746	149.4
[M+H-H2O]+	177.09156	133.5
[M+HCOO]-	239.09250	164.6
[M+CH3COO]-	253.10815	186.2
[M+Na-2H]-	215.06897	148.4
[M]+	194.09375	147.6
[M]-	194.09485	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe