CID 20029687

Triallyl acetylcitrate

Structural Information

Molecular Formula
C17H22O8
SMILES
CC(=O)OC(CC(=O)OCC=C)(CC(=O)OCC=C)C(=O)OCC=C
InChI
InChI=1S/C17H22O8/c1-5-8-22-14(19)11-17(25-13(4)18,16(21)24-10-7-3)12-15(20)23-9-6-2/h5-7H,1-3,8-12H2,4H3
InChIKey
CHNHTNNNKPKJOL-UHFFFAOYSA-N
Compound name
tris(prop-2-enyl) 2-acetyloxypropane-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

354.13147 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.13875 182.3
[M+Na]+ 377.12069 192.8
[M-H]- 353.12419 185.6
[M+NH4]+ 372.16529 194.3
[M+K]+ 393.09463 181.3
[M+H-H2O]+ 337.12873 171.9
[M+HCOO]- 399.12967 196.1
[M+CH3COO]- 413.14532 211.1
[M+Na-2H]- 375.10614 176.6
[M]+ 354.13092 185.9
[M]- 354.13202 185.9
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

patents stripe