CID 170237

39664-33-0

Structural Information

Molecular Formula
C23H36O4
SMILES
CC(=C)C(=O)OC1CCC(CC1)C(C)(C)C2CCC(CC2)OC(=O)C(=C)C
InChI
InChI=1S/C23H36O4/c1-15(2)21(24)26-19-11-7-17(8-12-19)23(5,6)18-9-13-20(14-10-18)27-22(25)16(3)4/h17-20H,1,3,7-14H2,2,4-6H3
InChIKey
RIVWLNPMWPTCEP-UHFFFAOYSA-N
Compound name
[4-[2-[4-(2-methylprop-2-enoyloxy)cyclohexyl]propan-2-yl]cyclohexyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

376.26135 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.26863 191.8
[M+Na]+ 399.25057 197.5
[M+NH4]+ 394.29517 196.4
[M+K]+ 415.22451 194.0
[M-H]- 375.25407 191.9
[M+Na-2H]- 397.23602 192.1
[M]+ 376.26080 192.1
[M]- 376.26190 192.1
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