CID 5362581

Ethyl methyl-p-tolylglycidate

Structural Information

Molecular Formula

C₁₃H₁₆O₃

SMILES

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

InChI

InChI=1S/C13H16O3/c1-4-15-12(14)11-13(3,16-11)10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-3H3

InChIKey

RJQNJKOCFCXTHZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 76
Patents: 220.10994 Da
Monoisotopic Mass: 2.3
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]+	221.117216	147.6
[M+Na]+	243.099158	157.8
[M-H]-	219.102664	156.5
[M+NH4]+	238.143763	162.4
[M+K]+	259.073098	157.6
[M+H-H2O]+	203.107200	141.8
[M+HCOO]-	265.108141	169.8
[M+CH3COO]-	279.123791	192.0
[M+Na-2H]-	241.084606	153.7
[M]+	220.10939142	154.8
[M]-	220.11048858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe