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

965
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 220.5
[M+Na]+ 527.22515 221.0
[M-H]- 503.22865 208.9
[M+NH4]+ 522.26975 221.1
[M+K]+ 543.19909 219.5
[M+H-H2O]+ 487.23319 210.8
[M+HCOO]- 549.23413 227.9
[M+CH3COO]- 563.24978 241.0
[M+Na-2H]- 525.21060 215.5
[M]+ 504.23538 213.0
[M]- 504.23648 213.0
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