CID 4432412

196109-17-8

Structural Information

Molecular Formula
C27H36O9
SMILES
C=COCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCOC=C)C(=O)OCCCCOC=C
InChI
InChI=1S/C27H36O9/c1-4-31-15-7-10-18-34-25(28)22-13-14-23(26(29)35-19-11-8-16-32-5-2)24(21-22)27(30)36-20-12-9-17-33-6-3/h4-6,13-14,21H,1-3,7-12,15-20H2
InChIKey
XOTMHFNWERTCLG-UHFFFAOYSA-N
Compound name
tris(4-ethenoxybutyl) benzene-1,2,4-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

920
Patents

504.23593 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.24321 227.6
[M+Na]+ 527.22515 228.7
[M+NH4]+ 522.26975 229.7
[M+K]+ 543.19909 227.3
[M-H]- 503.22865 221.0
[M+Na-2H]- 525.21060 231.0
[M]+ 504.23538 226.2
[M]- 504.23648 226.2
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