CID 75560

Tetrabutyl benzene-1,2,4,5-tetracarboxylate

Structural Information

Molecular Formula
C26H38O8
SMILES
CCCCOC(=O)C1=CC(=C(C=C1C(=O)OCCCC)C(=O)OCCCC)C(=O)OCCCC
InChI
InChI=1S/C26H38O8/c1-5-9-13-31-23(27)19-17-21(25(29)33-15-11-7-3)22(26(30)34-16-12-8-4)18-20(19)24(28)32-14-10-6-2/h17-18H,5-16H2,1-4H3
InChIKey
REPPSPNSOPYUCD-UHFFFAOYSA-N
Compound name
tetrabutyl benzene-1,2,4,5-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

452
Patents

478.25668 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.263956 216.9
[M+Na]+ 501.245898 219.2
[M-H]- 477.249404 218.7
[M+NH4]+ 496.290503 221.3
[M+K]+ 517.219838 218.2
[M+H-H2O]+ 461.253940 208.1
[M+HCOO]- 523.254881 224.5
[M+CH3COO]- 537.270531 239.1
[M+Na-2H]- 499.231346 210.3
[M]+ 478.25613142 230.1
[M]- 478.25722858 230.1
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