CID 72767597

Dimethyl 2-dodecyl-3,4-dihydroxy-5-oxooxolane-2,3-dicarboxylate

Structural Information

Molecular Formula

C₂₀H₃₄O₈

SMILES

CCCCCCCCCCCCC1(C(C(C(=O)O1)O)(C(=O)OC)O)C(=O)OC

InChI

InChI=1S/C20H34O8/c1-4-5-6-7-8-9-10-11-12-13-14-19(17(23)26-2)20(25,18(24)27-3)15(21)16(22)28-19/h15,21,25H,4-14H2,1-3H3

InChIKey

BFUVAPHBPBKRRA-UHFFFAOYSA-N

Compound name

dimethyl 2-dodecyl-3,4-dihydroxy-5-oxooxolane-2,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 402.22537 Da
Monoisotopic Mass: 5.4
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]+	403.232646	191.7
[M+Na]+	425.214588	195.6
[M-H]-	401.218094	191.9
[M+NH4]+	420.259193	205.8
[M+K]+	441.188528	195.3
[M+H-H2O]+	385.222630	188.2
[M+HCOO]-	447.223571	206.6
[M+CH3COO]-	461.239221	217.5
[M+Na-2H]-	423.200036	190.5
[M]+	402.22482142	200.5
[M]-	402.22591858	200.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.