CID 6436464

2,8,10-heptadecatriene-4,6-diyne-1,14-diol

Structural Information

Molecular Formula
C17H22O2
SMILES
CCCC(CC/C=C/C=C/C#CC#C/C=C/CO)O
InChI
InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,17-19H,2,12,14-16H2,1H3/b6-4+,10-8+,13-11+
InChIKey
UPXPHJXYZGEBCW-JHTNEVNSSA-N
Compound name
(2E,8E,10E)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

119
Patents

258.162 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16928 179.8
[M+Na]+ 281.15122 186.0
[M+NH4]+ 276.19582 178.4
[M+K]+ 297.12516 175.3
[M-H]- 257.15472 166.1
[M+Na-2H]- 279.13667 174.9
[M]+ 258.16145 175.3
[M]- 258.16255 175.3
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