CID 4339589

80909-99-5

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

COC1=CC=CC=C1COCC2CO2

InChI

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

InChIKey

FADQCEBBTITJBI-UHFFFAOYSA-N

Compound name

2-[(2-methoxyphenyl)methoxymethyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 598
Patents: 194.0943 Da
Monoisotopic Mass: 1.4
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	140.6
[M+Na]+	217.083518	150.0
[M-H]-	193.087024	149.0
[M+NH4]+	212.128123	154.2
[M+K]+	233.057458	149.4
[M+H-H2O]+	177.091560	133.5
[M+HCOO]-	239.092501	164.6
[M+CH3COO]-	253.108151	186.2
[M+Na-2H]-	215.068966	148.4
[M]+	194.09375142	147.6
[M]-	194.09484858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe