CID 45071

63905-29-3

Structural Information

Molecular Formula
C20H30O4
SMILES
C1CC(CC=C1)COC(=O)CCCCC(=O)OCC2CCC=CC2
InChI
InChI=1S/C20H30O4/c21-19(23-15-17-9-3-1-4-10-17)13-7-8-14-20(22)24-16-18-11-5-2-6-12-18/h1-3,5,17-18H,4,6-16H2
InChIKey
PJRVYFKLOAROIV-UHFFFAOYSA-N
Compound name
bis(cyclohex-3-en-1-ylmethyl) hexanedioate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

37
Patents

334.21442 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.221696 184.2
[M+Na]+ 357.203638 183.9
[M-H]- 333.207144 187.9
[M+NH4]+ 352.248243 196.6
[M+K]+ 373.177578 181.5
[M+H-H2O]+ 317.211680 175.4
[M+HCOO]- 379.212621 199.9
[M+CH3COO]- 393.228271 208.2
[M+Na-2H]- 355.189086 182.6
[M]+ 334.21387142 182.5
[M]- 334.21496858 182.5
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