CID 44150523

Hexanedioic acid, cyclohexyl hexyl ester

Structural Information

Molecular Formula
C18H32O4
SMILES
CCCCCCOC(=O)CCCCC(=O)OC1CCCCC1
InChI
InChI=1S/C18H32O4/c1-2-3-4-10-15-21-17(19)13-8-9-14-18(20)22-16-11-6-5-7-12-16/h16H,2-15H2,1H3
InChIKey
SXKCDRRSQHPBOI-UHFFFAOYSA-N
Compound name
6-O-cyclohexyl 1-O-hexyl hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1644
Patents

312.23007 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.23735 179.7
[M+Na]+ 335.21929 186.5
[M+NH4]+ 330.26389 185.1
[M+K]+ 351.19323 180.5
[M-H]- 311.22279 179.1
[M+Na-2H]- 333.20474 180.6
[M]+ 312.22952 180.0
[M]- 312.23062 180.0
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