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]+ 243.174346 166.9
[M+Na]+ 265.156288 174.8
[M-H]- 241.159794 166.4
[M+NH4]+ 260.200893 178.3
[M+K]+ 281.130228 169.0
[M+H-H2O]+ 225.164330 153.4
[M+HCOO]- 287.165271 174.1
[M+CH3COO]- 301.180921 214.6
[M+Na-2H]- 263.141736 165.3
[M]+ 242.16652142 159.2
[M]- 242.16761858 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.