CID 5283275

2,9-heptadecadien-4,6-diyn-1,8-diol

Structural Information

Molecular Formula
C17H24O2
SMILES
CCCCCCC/C=C/C(C#CC#C/C=C/CO)O
InChI
InChI=1S/C17H24O2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18/h10-11,13-14,17-19H,2-6,8,16H2,1H3/b13-10+,14-11+
InChIKey
UECWLXACMXYTFN-IFQMDVHZSA-N
Compound name
(2E,9E)-heptadeca-2,9-dien-4,6-diyne-1,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.17764 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.184916 169.2
[M+Na]+ 283.166858 176.6
[M-H]- 259.170364 167.8
[M+NH4]+ 278.211463 179.8
[M+K]+ 299.140798 171.2
[M+H-H2O]+ 243.174900 155.7
[M+HCOO]- 305.175841 175.5
[M+CH3COO]- 319.191491 214.7
[M+Na-2H]- 281.152306 167.3
[M]+ 260.17709142 161.7
[M]- 260.17818858 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.