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
3
Annotation Hits

0
References

38
Patents

334.21442 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.22170 184.2
[M+Na]+ 357.20364 183.9
[M-H]- 333.20714 187.9
[M+NH4]+ 352.24824 196.6
[M+K]+ 373.17758 181.5
[M+H-H2O]+ 317.21168 175.4
[M+HCOO]- 379.21262 199.9
[M+CH3COO]- 393.22827 208.2
[M+Na-2H]- 355.18909 182.6
[M]+ 334.21387 182.5
[M]- 334.21497 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