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: 112
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]+	203.091396	141.5
[M+Na]+	225.073338	146.8
[M-H]-	201.076844	145.2
[M+NH4]+	220.117943	160.8
[M+K]+	241.047278	149.2
[M+H-H2O]+	185.081380	136.6
[M+HCOO]-	247.082321	160.4
[M+CH3COO]-	261.097971	180.9
[M+Na-2H]-	223.058786	146.8
[M]+	202.08357142	142.6
[M]-	202.08466858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe