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

777
Patents

298.10526 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.112536 181.9
[M+Na]+ 321.094478 184.5
[M-H]- 297.097984 190.7
[M+NH4]+ 316.139083 178.7
[M+K]+ 337.068418 187.8
[M+H-H2O]+ 281.102520 175.9
[M+HCOO]- 343.103461 189.8
[M+CH3COO]- 357.119111 220.1
[M+Na-2H]- 319.079926 180.6
[M]+ 298.10471142 189.9
[M]- 298.10580858 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

literature stripe

Patent stripe

patents stripe