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

3
Annotation Hits: 0
References: 7496
Patents: 312.1209 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	313.128176	169.7
[M+Na]+	335.110118	174.1
[M-H]-	311.113624	167.5
[M+NH4]+	330.154723	178.8
[M+K]+	351.084058	172.6
[M+H-H2O]+	295.118160	164.2
[M+HCOO]-	357.119101	186.2
[M+CH3COO]-	371.134751	201.3
[M+Na-2H]-	333.095566	169.7
[M]+	312.12035142	175.9
[M]-	312.12144858	175.9

Literature stripe

literature stripe

Patent stripe

patents stripe