CID 11063483

149777-00-4

Structural Information

Molecular Formula

C₉H₁₄O₅

SMILES

COC(=O)C1(CCOCC1)C(=O)OC

InChI

InChI=1S/C9H14O5/c1-12-7(10)9(8(11)13-2)3-5-14-6-4-9/h3-6H2,1-2H3

InChIKey

OTIZXJJKKRZQJR-UHFFFAOYSA-N

Compound name

dimethyl oxane-4,4-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 202.08412 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]+	203.09140	143.2
[M+Na]+	225.07334	152.0
[M+NH4]+	220.11794	150.9
[M+K]+	241.04728	147.2
[M-H]-	201.07684	143.9
[M+Na-2H]-	223.05879	147.2
[M]+	202.08357	144.4
[M]-	202.08467	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe