CID 129509

3-acetylpanaxydol

Structural Information

Molecular Formula
C19H26O3
SMILES
CCCCCCCC1C(O1)CC#CC#CC(C=C)OC(=O)C
InChI
InChI=1S/C19H26O3/c1-4-6-7-8-11-14-18-19(22-18)15-12-9-10-13-17(5-2)21-16(3)20/h5,17-19H,2,4,6-8,11,14-15H2,1,3H3
InChIKey
TZXIQFAHBPZOMM-UHFFFAOYSA-N
Compound name
8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3
Patents

302.1882 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19548 180.3
[M+Na]+ 325.17742 187.7
[M+NH4]+ 320.22202 179.8
[M+K]+ 341.15136 179.1
[M-H]- 301.18092 173.4
[M+Na-2H]- 323.16287 177.9
[M]+ 302.18765 178.7
[M]- 302.18875 178.7
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