CID 103688

Ethyl 3-p-tolyloxirane-2-carboxylate

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

CCOC(=O)C1C(O1)C2=CC=C(C=C2)C

InChI

InChI=1S/C12H14O3/c1-3-14-12(13)11-10(15-11)9-6-4-8(2)5-7-9/h4-7,10-11H,3H2,1-2H3

InChIKey

UMSHXRVBYUKRDF-UHFFFAOYSA-N

Compound name

ethyl 3-(4-methylphenyl)oxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 66
Patents: 206.0943 Da
Monoisotopic Mass: 2.1
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]+	207.10158	145.8
[M+Na]+	229.08352	160.2
[M+NH4]+	224.12812	154.4
[M+K]+	245.05746	155.9
[M-H]-	205.08702	156.8
[M+Na-2H]-	227.06897	154.7
[M]+	206.09375	152.1
[M]-	206.09485	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe