CID 145751

Methyl oxirane-2-carboxylate

Structural Information

Molecular Formula

C₄H₆O₃

SMILES

COC(=O)C1CO1

InChI

InChI=1S/C4H6O3/c1-6-4(5)3-2-7-3/h3H,2H2,1H3

InChIKey

YKNYRRVISWJDSR-UHFFFAOYSA-N

Compound name

methyl oxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1845
Patents: 102.03169 Da
Monoisotopic Mass: -0.2
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]+	103.038966	117.9
[M+Na]+	125.020908	128.1
[M-H]-	101.024414	123.8
[M+NH4]+	120.065513	135.0
[M+K]+	140.994848	129.1
[M+H-H2O]+	85.028950	112.3
[M+HCOO]-	147.029891	141.5
[M+CH3COO]-	161.045541	168.7
[M+Na-2H]-	123.006356	126.3
[M]+	102.03114142	123.1
[M]-	102.03223858	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe