CID 80534

Triallyl citrate

Structural Information

Molecular Formula
C15H20O7
SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
InChI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InChIKey
PLCFYBDYBCOLSP-UHFFFAOYSA-N
Compound name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7485
Patents

312.1209 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12818 169.7
[M+Na]+ 335.11012 174.1
[M-H]- 311.11362 167.5
[M+NH4]+ 330.15472 178.8
[M+K]+ 351.08406 172.6
[M+H-H2O]+ 295.11816 164.2
[M+HCOO]- 357.11910 186.2
[M+CH3COO]- 371.13475 201.3
[M+Na-2H]- 333.09557 169.7
[M]+ 312.12035 175.9
[M]- 312.12145 175.9
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.