CID 13152840

Methyl tetrahydro-2,5-dimethoxyfuroate

Structural Information

Molecular Formula

C₈H₁₄O₅

SMILES

COC1CCC(O1)(C(=O)OC)OC

InChI

InChI=1S/C8H14O5/c1-10-6-4-5-8(12-3,13-6)7(9)11-2/h6H,4-5H2,1-3H3

InChIKey

YUDUYCUJCQMCCJ-UHFFFAOYSA-N

Compound name

methyl 2,5-dimethoxyoxolane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 80
Patents: 190.08412 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]+	191.091396	136.9
[M+Na]+	213.073338	144.3
[M-H]-	189.076844	141.2
[M+NH4]+	208.117943	159.0
[M+K]+	229.047278	146.7
[M+H-H2O]+	173.081380	132.9
[M+HCOO]-	235.082321	159.0
[M+CH3COO]-	249.097971	179.3
[M+Na-2H]-	211.058786	142.3
[M]+	190.08357142	141.5
[M]-	190.08466858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe