CID 19702027

Ethyl 3-(oxiran-2-ylmethoxy)benzoate

Structural Information

Molecular Formula

C₁₂H₁₄O₄

SMILES

CCOC(=O)C1=CC(=CC=C1)OCC2CO2

InChI

InChI=1S/C12H14O4/c1-2-14-12(13)9-4-3-5-10(6-9)15-7-11-8-16-11/h3-6,11H,2,7-8H2,1H3

InChIKey

GJIYIHFVFHIIPI-UHFFFAOYSA-N

Compound name

ethyl 3-(oxiran-2-ylmethoxy)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 222.0892 Da
Monoisotopic Mass: 1.8
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]+	223.09648	149.9
[M+Na]+	245.07842	163.5
[M+NH4]+	240.12302	158.0
[M+K]+	261.05236	159.5
[M-H]-	221.08192	160.4
[M+Na-2H]-	243.06387	158.5
[M]+	222.08865	155.9
[M]-	222.08975	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe