CID 131752729

10-acetylpanaxytriol

Structural Information

Molecular Formula
C19H28O4
SMILES
CCCCCCCC(C(CC#CC#CC(C=C)O)O)OC(=O)C
InChI
InChI=1S/C19H28O4/c1-4-6-7-8-12-15-19(23-16(3)20)18(22)14-11-9-10-13-17(21)5-2/h5,17-19,21-22H,2,4,6-8,12,14-15H2,1,3H3
InChIKey
PNELZYLPPYPWTP-UHFFFAOYSA-N
Compound name
9,15-dihydroxyheptadec-16-en-11,13-diyn-8-yl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

320.19876 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20604 180.5
[M+Na]+ 343.18798 186.5
[M-H]- 319.19148 178.7
[M+NH4]+ 338.23258 189.1
[M+K]+ 359.16192 182.7
[M+H-H2O]+ 303.19602 166.6
[M+HCOO]- 365.19696 184.7
[M+CH3COO]- 379.21261 223.1
[M+Na-2H]- 341.17343 175.3
[M]+ 320.19821 173.9
[M]- 320.19931 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe