CID 181270

36221-25-7

Structural Information

Molecular Formula
C15H20O6
SMILES
CC1(CC=CCC1C(=O)OCC2CO2)C(=O)OCC3CO3
InChI
InChI=1S/C15H20O6/c1-15(14(17)21-9-11-7-19-11)5-3-2-4-12(15)13(16)20-8-10-6-18-10/h2-3,10-12H,4-9H2,1H3
InChIKey
DYNNWXBMMDAYBS-UHFFFAOYSA-N
Compound name
bis(oxiran-2-ylmethyl) 1-methylcyclohex-4-ene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

296.12598 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.133256 172.7
[M+Na]+ 319.115198 178.0
[M-H]- 295.118704 182.9
[M+NH4]+ 314.159803 176.4
[M+K]+ 335.089138 181.0
[M+H-H2O]+ 279.123240 166.8
[M+HCOO]- 341.124181 187.1
[M+CH3COO]- 355.139831 208.9
[M+Na-2H]- 317.100646 174.7
[M]+ 296.12543142 180.7
[M]- 296.12652858 180.7
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

patents stripe