CID 92325

42245-42-1

Structural Information

Molecular Formula

C₁₁H₁₂O₄

SMILES

COC1=CC=C(C=C1)C2C(O2)C(=O)OC

InChI

InChI=1S/C11H12O4/c1-13-8-5-3-7(4-6-8)9-10(15-9)11(12)14-2/h3-6,9-10H,1-2H3

InChIKey

CVZUMGUZDAWOGA-UHFFFAOYSA-N

Compound name

methyl 3-(4-methoxyphenyl)oxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 265
Patents: 208.07356 Da
Monoisotopic Mass: 1.3
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]+	209.080836	142.6
[M+Na]+	231.062778	153.0
[M-H]-	207.066284	151.6
[M+NH4]+	226.107383	155.9
[M+K]+	247.036718	152.5
[M+H-H2O]+	191.070820	135.9
[M+HCOO]-	253.071761	166.0
[M+CH3COO]-	267.087411	188.7
[M+Na-2H]-	229.048226	148.7
[M]+	208.07301142	150.2
[M]-	208.07410858	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe