CID 5317309

(9z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol

Structural Information

Molecular Formula
C17H24O2
SMILES
CCCCCCC/C=C\C(C#CC#CC(C=C)O)O
InChI
InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-
InChIKey
QWCNQXNAFCBLLV-UVTDQMKNSA-N
Compound name
(9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

91
References

652
Patents

260.17764 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18492 170.6
[M+Na]+ 283.16686 177.7
[M-H]- 259.17036 169.1
[M+NH4]+ 278.21146 181.0
[M+K]+ 299.14080 172.6
[M+H-H2O]+ 243.17490 157.1
[M+HCOO]- 305.17584 176.2
[M+CH3COO]- 319.19149 215.7
[M+Na-2H]- 281.15231 167.7
[M]+ 260.17709 162.6
[M]- 260.17819 162.6
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