CID 3525005

Methyl 2-methylglycidate

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

CC1(CO1)C(=O)OC

InChI

InChI=1S/C5H8O3/c1-5(3-8-5)4(6)7-2/h3H2,1-2H3

InChIKey

OSYXXQUUGMLSGE-UHFFFAOYSA-N

Compound name

methyl 2-methyloxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 391
Patents: 116.04734 Da
Monoisotopic Mass: 0.0
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]+	117.05462	122.2
[M+Na]+	139.03656	132.7
[M-H]-	115.04006	128.4
[M+NH4]+	134.08116	140.8
[M+K]+	155.01050	134.5
[M+H-H2O]+	99.044600	117.9
[M+HCOO]-	161.04554	145.2
[M+CH3COO]-	175.06119	171.2
[M+Na-2H]-	137.02201	131.3
[M]+	116.04679	128.3
[M]-	116.04789	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe