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 166.9
[M+Na]+ 265.15629 174.8
[M-H]- 241.15979 166.4
[M+NH4]+ 260.20089 178.3
[M+K]+ 281.13023 169.0
[M+H-H2O]+ 225.16433 153.4
[M+HCOO]- 287.16527 174.1
[M+CH3COO]- 301.18092 214.6
[M+Na-2H]- 263.14174 165.3
[M]+ 242.16652 159.2
[M]- 242.16762 159.2
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.