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]+ 261.18492 169.2
[M+Na]+ 283.16686 176.6
[M-H]- 259.17036 167.8
[M+NH4]+ 278.21146 179.8
[M+K]+ 299.14080 171.2
[M+H-H2O]+ 243.17490 155.7
[M+HCOO]- 305.17584 175.5
[M+CH3COO]- 319.19149 214.7
[M+Na-2H]- 281.15231 167.3
[M]+ 260.17709 161.7
[M]- 260.17819 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.