CID 224776

Nsc13549

Structural Information

Molecular Formula
C26H49O9P
SMILES
CCCCOC(=O)CC(C(C(=O)OCCCC)P(=O)(OCCCC)OCCCC)C(=O)OCCCC
InChI
InChI=1S/C26H49O9P/c1-6-11-16-31-23(27)21-22(25(28)32-17-12-7-2)24(26(29)33-18-13-8-3)36(30,34-19-14-9-4)35-20-15-10-5/h22,24H,6-21H2,1-5H3
InChIKey
MOIBJQDWOFUMFH-UHFFFAOYSA-N
Compound name
tributyl 1-dibutoxyphosphorylpropane-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.3114 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.31868 235.2
[M+Na]+ 559.30062 241.2
[M-H]- 535.30412 233.8
[M+NH4]+ 554.34522 248.2
[M+K]+ 575.27456 239.2
[M+H-H2O]+ 519.30866 230.7
[M+HCOO]- 581.30960 240.3
[M+CH3COO]- 595.32525 249.3
[M+Na-2H]- 557.28607 221.8
[M]+ 536.31085 236.8
[M]- 536.31195 236.8
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

No patent data available for this compound.