CID 13321

Dicyclohexyl adipate

Structural Information

Molecular Formula
C18H30O4
SMILES
C1CCC(CC1)OC(=O)CCCCC(=O)OC2CCCCC2
InChI
InChI=1S/C18H30O4/c19-17(21-15-9-3-1-4-10-15)13-7-8-14-18(20)22-16-11-5-2-6-12-16/h15-16H,1-14H2
InChIKey
UTGUHFOMNVLJSL-UHFFFAOYSA-N
Compound name
dicyclohexyl hexanedioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

1034
Patents

310.21442 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.221696 178.2
[M+Na]+ 333.203638 176.7
[M-H]- 309.207144 181.5
[M+NH4]+ 328.248243 191.4
[M+K]+ 349.177578 175.1
[M+H-H2O]+ 293.211680 169.8
[M+HCOO]- 355.212621 191.6
[M+CH3COO]- 369.228271 203.1
[M+Na-2H]- 331.189086 175.7
[M]+ 310.21387142 172.9
[M]- 310.21496858 172.9
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