CID 20686473

18249-11-1

Structural Information

Molecular Formula
C22H30O4
SMILES
CC1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCC(CC3)C
InChI
InChI=1S/C22H30O4/c1-15-7-11-17(12-8-15)25-21(23)19-5-3-4-6-20(19)22(24)26-18-13-9-16(2)10-14-18/h3-6,15-18H,7-14H2,1-2H3
InChIKey
JKJWMYHRXOJYJS-UHFFFAOYSA-N
Compound name
bis(4-methylcyclohexyl) benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

358.21442 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.221696 187.8
[M+Na]+ 381.203638 188.5
[M-H]- 357.207144 195.2
[M+NH4]+ 376.248243 199.4
[M+K]+ 397.177578 185.8
[M+H-H2O]+ 341.211680 178.5
[M+HCOO]- 403.212621 201.2
[M+CH3COO]- 417.228271 214.7
[M+Na-2H]- 379.189086 183.7
[M]+ 358.21387142 182.4
[M]- 358.21496858 182.4
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