CID 13209908

25293-64-5

Structural Information

Molecular Formula
C14H18O7
SMILES
C1C(C(CC2C1O2)C(=O)OCC3CO3)C(=O)OCC4CO4
InChI
InChI=1S/C14H18O7/c15-13(19-5-7-3-17-7)9-1-11-12(21-11)2-10(9)14(16)20-6-8-4-18-8/h7-12H,1-6H2
InChIKey
ITZGNPZZAICLKA-UHFFFAOYSA-N
Compound name
bis(oxiran-2-ylmethyl) 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

772
Patents

298.10526 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11254 181.9
[M+Na]+ 321.09448 184.5
[M-H]- 297.09798 190.7
[M+NH4]+ 316.13908 178.7
[M+K]+ 337.06842 187.8
[M+H-H2O]+ 281.10252 175.9
[M+HCOO]- 343.10346 189.8
[M+CH3COO]- 357.11911 220.1
[M+Na-2H]- 319.07993 180.6
[M]+ 298.10471 189.9
[M]- 298.10581 189.9
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.