CID 93484

Panaxytriol

Structural Information

Molecular Formula
C17H26O3
SMILES
CCCCCCCC(C(CC#CC#CC(C=C)O)O)O
InChI
InChI=1S/C17H26O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h4,15-20H,2-3,5-7,10,13-14H2,1H3
InChIKey
RDIMTXDFGHNINN-UHFFFAOYSA-N
Compound name
heptadec-1-en-4,6-diyne-3,9,10-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

6878
Patents

278.1882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.19548 180.2
[M+Na]+ 301.17742 185.3
[M+NH4]+ 296.22202 178.3
[M+K]+ 317.15136 176.3
[M-H]- 277.18092 165.9
[M+Na-2H]- 299.16287 174.5
[M]+ 278.18765 175.3
[M]- 278.18875 175.3
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