CID 5317634

Ginsenoyne c

Structural Information

Molecular Formula
C17H24O3
SMILES
C=CCCCCCC(C(CC#CC#CC(C=C)O)O)O
InChI
InChI=1S/C17H24O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h3-4,15-20H,1-2,5-7,10,13-14H2
InChIKey
WNVDKDQMWFSCPI-UHFFFAOYSA-N
Compound name
heptadeca-1,16-dien-4,6-diyne-3,9,10-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

276.17255 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17983 174.8
[M+Na]+ 299.16177 181.2
[M-H]- 275.16527 172.4
[M+NH4]+ 294.20637 184.1
[M+K]+ 315.13571 176.5
[M+H-H2O]+ 259.16981 161.3
[M+HCOO]- 321.17075 178.8
[M+CH3COO]- 335.18640 216.3
[M+Na-2H]- 297.14722 170.5
[M]+ 276.17200 166.0
[M]- 276.17310 166.0
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