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
3
Annotation Hits

2
References

13895
Patents

284.12598 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.133256 169.4
[M+Na]+ 307.115198 173.9
[M-H]- 283.118704 179.2
[M+NH4]+ 302.159803 171.8
[M+K]+ 323.089138 175.5
[M+H-H2O]+ 267.123240 162.3
[M+HCOO]- 329.124181 183.5
[M+CH3COO]- 343.139831 207.3
[M+Na-2H]- 305.100646 170.2
[M]+ 284.12543142 175.5
[M]- 284.12652858 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

literature stripe

Patent stripe

patents stripe