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

436
Patents

478.25668 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.26396 216.9
[M+Na]+ 501.24590 219.2
[M-H]- 477.24940 218.7
[M+NH4]+ 496.29050 221.3
[M+K]+ 517.21984 218.2
[M+H-H2O]+ 461.25394 208.1
[M+HCOO]- 523.25488 224.5
[M+CH3COO]- 537.27053 239.1
[M+Na-2H]- 499.23135 210.3
[M]+ 478.25613 230.1
[M]- 478.25723 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