CID 77782

Tricyclohexyl citrate

Structural Information

Molecular Formula
C24H38O7
SMILES
C1CCC(CC1)OC(=O)CC(CC(=O)OC2CCCCC2)(C(=O)OC3CCCCC3)O
InChI
InChI=1S/C24H38O7/c25-21(29-18-10-4-1-5-11-18)16-24(28,23(27)31-20-14-8-3-9-15-20)17-22(26)30-19-12-6-2-7-13-19/h18-20,28H,1-17H2
InChIKey
CBKMOPGKNJBDFA-UHFFFAOYSA-N
Compound name
tricyclohexyl 2-hydroxypropane-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

401
Patents

438.26175 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.26903 203.6
[M+Na]+ 461.25097 206.7
[M+NH4]+ 456.29557 207.3
[M+K]+ 477.22491 204.1
[M-H]- 437.25447 204.2
[M+Na-2H]- 459.23642 204.2
[M]+ 438.26120 203.4
[M]- 438.26230 203.4
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