CID 131751280

(z,z)-2,9,16-heptadecatriene-4,6-diyn-8-ol

Structural Information

Molecular Formula
C17H22O
SMILES
C/C=C\C#CC#CC(/C=C/CCCCCC=C)O
InChI
InChI=1S/C17H22O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h3-4,6,14,16-18H,1,5,7,9-10,12H2,2H3/b6-4-,16-14+
InChIKey
BVVCAUWTOOENBU-JSNTUCNZSA-N
Compound name
(2Z,9E)-heptadeca-2,9,16-trien-4,6-diyn-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16707 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17435 177.3
[M+Na]+ 265.15629 184.2
[M+NH4]+ 260.20089 176.5
[M+K]+ 281.13023 173.0
[M-H]- 241.15979 164.3
[M+Na-2H]- 263.14174 173.1
[M]+ 242.16652 173.2
[M]- 242.16762 173.2
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.