CID 86287599

Chembl5196039

Structural Information

Molecular Formula
C20H24O
SMILES
C#C/C=C\CCCCC#CC#CCCCCCC#CCO
InChI
InChI=1S/C20H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h1,3-4,21H,5-8,13-17,20H2/b4-3-
InChIKey
NENOYMHTWHLEKR-ARJAWSKDSA-N
Compound name
(Z)-icos-17-en-2,9,11,19-tetrayn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.1827 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.18998 166.1
[M+Na]+ 303.17192 171.2
[M-H]- 279.17542 169.4
[M+NH4]+ 298.21652 169.8
[M+K]+ 319.14586 168.0
[M+H-H2O]+ 263.17996 158.8
[M+HCOO]- 325.18090 166.1
[M+CH3COO]- 339.19655 245.2
[M+Na-2H]- 301.15737 163.1
[M]+ 280.18215 161.5
[M]- 280.18325 161.5
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

No patent data available for this compound.