CID 21660

5493-45-8

Structural Information

Molecular Formula

C₁₄H₂₀O₆

SMILES

C1CCC(C(C1)C(=O)OCC2CO2)C(=O)OCC3CO3

InChI

InChI=1S/C14H20O6/c15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10/h9-12H,1-8H2

InChIKey

XFUOBHWPTSIEOV-UHFFFAOYSA-N

Compound name

bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 14318
Patents: 284.12598 Da
Monoisotopic Mass: 0.9
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]+	285.13326	169.4
[M+Na]+	307.11520	173.9
[M-H]-	283.11870	179.2
[M+NH4]+	302.15980	171.8
[M+K]+	323.08914	175.5
[M+H-H2O]+	267.12324	162.3
[M+HCOO]-	329.12418	183.5
[M+CH3COO]-	343.13983	207.3
[M+Na-2H]-	305.10065	170.2
[M]+	284.12543	175.5
[M]-	284.12653	175.5

Literature stripe

literature stripe

Patent stripe

patents stripe