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
2
Annotation Hits

0
References

1928
Patents

312.23007 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.237346 181.0
[M+Na]+ 335.219288 181.5
[M-H]- 311.222794 181.9
[M+NH4]+ 330.263893 195.1
[M+K]+ 351.193228 179.9
[M+H-H2O]+ 295.227330 173.4
[M+HCOO]- 357.228271 197.5
[M+CH3COO]- 371.243921 206.1
[M+Na-2H]- 333.204736 179.0
[M]+ 312.22952142 182.9
[M]- 312.23061858 182.9
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