CID 86395

Pentanedioic acid, bis((4-((ethenyloxy)methyl)cyclohexyl)methyl) ester

Structural Information

Molecular Formula
C25H40O6
SMILES
C=COCC1CCC(CC1)COC(=O)CCCC(=O)OCC2CCC(CC2)COC=C
InChI
InChI=1S/C25H40O6/c1-3-28-16-20-8-12-22(13-9-20)18-30-24(26)6-5-7-25(27)31-19-23-14-10-21(11-15-23)17-29-4-2/h3-4,20-23H,1-2,5-19H2
InChIKey
SDNBHBGJJPWRJG-UHFFFAOYSA-N
Compound name
bis[[4-(ethenoxymethyl)cyclohexyl]methyl] pentanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1169
Patents

436.2825 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.28978 209.6
[M+Na]+ 459.27172 207.1
[M-H]- 435.27522 212.1
[M+NH4]+ 454.31632 217.8
[M+K]+ 475.24566 204.3
[M+H-H2O]+ 419.27976 200.3
[M+HCOO]- 481.28070 221.4
[M+CH3COO]- 495.29635 229.0
[M+Na-2H]- 457.25717 202.8
[M]+ 436.28195 209.2
[M]- 436.28305 209.2
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