CID 95243

7147-34-4

Structural Information

Molecular Formula
C30H56O7
SMILES
CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)(C(=O)OCC(CC)CCCC)O
InChI
InChI=1S/C30H56O7/c1-7-13-16-24(10-4)21-35-27(31)19-30(34,29(33)37-23-26(12-6)18-15-9-3)20-28(32)36-22-25(11-5)17-14-8-2/h24-26,34H,7-23H2,1-6H3
InChIKey
DUHIKWRPAQIIBL-UHFFFAOYSA-N
Compound name
tris(2-ethylhexyl) 2-hydroxypropane-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

997
Patents

528.4026 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.40988 232.8
[M+Na]+ 551.39182 239.1
[M-H]- 527.39532 230.1
[M+NH4]+ 546.43642 243.0
[M+K]+ 567.36576 240.7
[M+H-H2O]+ 511.39986 234.0
[M+HCOO]- 573.40080 231.6
[M+CH3COO]- 587.41645 249.4
[M+Na-2H]- 549.37727 221.3
[M]+ 528.40205 234.9
[M]- 528.40315 234.9
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