CID 101632

144-15-0

Structural Information

Molecular Formula
C32H58O8
SMILES
CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)(C(=O)OCC(CC)CCCC)OC(=O)C
InChI
InChI=1S/C32H58O8/c1-8-14-17-26(11-4)22-37-29(34)20-32(40-25(7)33,31(36)39-24-28(13-6)19-16-10-3)21-30(35)38-23-27(12-5)18-15-9-2/h26-28H,8-24H2,1-7H3
InChIKey
FRDNONBEXWDRDM-UHFFFAOYSA-N
Compound name
tris(2-ethylhexyl) 2-acetyloxypropane-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1099
Patents

570.41315 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.42043 242.4
[M+Na]+ 593.40237 250.1
[M-H]- 569.40587 242.4
[M+NH4]+ 588.44697 257.6
[M+K]+ 609.37631 252.4
[M+H-H2O]+ 553.41041 245.4
[M+HCOO]- 615.41135 240.6
[M+CH3COO]- 629.42700 258.3
[M+Na-2H]- 591.38782 231.6
[M]+ 570.41260 246.3
[M]- 570.41370 246.3
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