CID 315161

Methyl 2-oxotetrahydrofuran-3-carboxylate

Structural Information

Molecular Formula

C₆H₈O₄

SMILES

COC(=O)C1CCOC1=O

InChI

InChI=1S/C6H8O4/c1-9-5(7)4-2-3-10-6(4)8/h4H,2-3H2,1H3

InChIKey

KBFOCDFPJBIMBD-UHFFFAOYSA-N

Compound name

methyl 2-oxooxolane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 146
Patents: 144.04225 Da
Monoisotopic Mass: 0.3
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]+	145.04953	127.3
[M+Na]+	167.03147	136.6
[M+NH4]+	162.07607	134.5
[M+K]+	183.00541	135.1
[M-H]-	143.03497	128.0
[M+Na-2H]-	165.01692	129.9
[M]+	144.04170	128.4
[M]-	144.04280	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe