CID 89513

21544-03-6

Structural Information

Molecular Formula
C14H18O6
SMILES
C1C=CCC(C1C(=O)OCC2CO2)C(=O)OCC3CO3
InChI
InChI=1S/C14H18O6/c15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10/h1-2,9-12H,3-8H2
InChIKey
KTPIWUHKYIJBCR-UHFFFAOYSA-N
Compound name
bis(oxiran-2-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3192
Patents

282.11035 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11763 145.3
[M+Na]+ 305.09957 156.5
[M+NH4]+ 300.14417 152.1
[M+K]+ 321.07351 157.0
[M-H]- 281.10307 161.4
[M+Na-2H]- 303.08502 154.4
[M]+ 282.10980 153.2
[M]- 282.11090 153.2
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