CID 106213

67952-51-6

Structural Information

Molecular Formula
C21H18O12
SMILES
C=CCOC(=O)C1=C(C(=C(C(=C1C(=O)O)C(=O)OCC=C)C(=O)O)C(=O)OCC=C)C(=O)O
InChI
InChI=1S/C21H18O12/c1-4-7-31-19(28)13-10(16(22)23)14(20(29)32-8-5-2)12(18(26)27)15(11(13)17(24)25)21(30)33-9-6-3/h4-6H,1-3,7-9H2,(H,22,23)(H,24,25)(H,26,27)
InChIKey
GOTWQVHNTVYUFR-UHFFFAOYSA-N
Compound name
2,4,6-tris(prop-2-enoxycarbonyl)benzene-1,3,5-tricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.07983 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.08711 209.1
[M+Na]+ 485.06905 210.3
[M+NH4]+ 480.11365 212.5
[M+K]+ 501.04299 208.7
[M-H]- 461.07255 212.8
[M+Na-2H]- 483.05450 216.2
[M]+ 462.07928 210.2
[M]- 462.08038 210.2
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

No patent data available for this compound.