CID 13913099

9-pentadecene-12,14-diyne-1,11-diol

Structural Information

Molecular Formula
C15H22O2
SMILES
C#CC#CC(/C=C/CCCCCCCCO)O
InChI
InChI=1S/C15H22O2/c1-2-3-12-15(17)13-10-8-6-4-5-7-9-11-14-16/h1,10,13,15-17H,4-9,11,14H2/b13-10+
InChIKey
KIIGQXVIHZSFAX-JLHYYAGUSA-N
Compound name
(E)-pentadec-9-en-12,14-diyne-1,11-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 162.1
[M+Na]+ 257.151208 169.6
[M-H]- 233.154714 160.7
[M+NH4]+ 252.195813 173.2
[M+K]+ 273.125148 165.0
[M+H-H2O]+ 217.159250 148.7
[M+HCOO]- 279.160191 168.7
[M+CH3COO]- 293.175841 212.7
[M+Na-2H]- 255.136656 161.0
[M]+ 234.16144142 154.7
[M]- 234.16253858 154.7
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.