CID 21660

Hexahydrophthalic acid diglycidyl ester

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

13792
Patents

284.12598 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.