CID 87328

Triallyl trimesate

Structural Information

Molecular Formula
C18H18O6
SMILES
C=CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC=C)C(=O)OCC=C
InChI
InChI=1S/C18H18O6/c1-4-7-22-16(19)13-10-14(17(20)23-8-5-2)12-15(11-13)18(21)24-9-6-3/h4-6,10-12H,1-3,7-9H2
InChIKey
VOSUIKFOFHZNED-UHFFFAOYSA-N
Compound name
tris(prop-2-enyl) benzene-1,3,5-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1336
Patents

330.11035 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 173.4
[M+Na]+ 353.09957 179.5
[M-H]- 329.10307 176.5
[M+NH4]+ 348.14417 187.1
[M+K]+ 369.07351 176.9
[M+H-H2O]+ 313.10761 166.3
[M+HCOO]- 375.10855 194.5
[M+CH3COO]- 389.12420 208.6
[M+Na-2H]- 351.08502 172.4
[M]+ 330.10980 179.8
[M]- 330.11090 179.8
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.