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]+ 235.16927 162.1
[M+Na]+ 257.15121 169.6
[M-H]- 233.15471 160.7
[M+NH4]+ 252.19581 173.2
[M+K]+ 273.12515 165.0
[M+H-H2O]+ 217.15925 148.7
[M+HCOO]- 279.16019 168.7
[M+CH3COO]- 293.17584 212.7
[M+Na-2H]- 255.13666 161.0
[M]+ 234.16144 154.7
[M]- 234.16254 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.