CID 23426171

(13z)-hexadeca-13,15-dien-2,4-diyn-1-ol

Structural Information

Molecular Formula
C16H22O
SMILES
C=C/C=C\CCCCCCCC#CC#CCO
InChI
InChI=1S/C16H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-4,17H,1,5-11,16H2/b4-3-
InChIKey
SQHFYPMZLFCNGF-ARJAWSKDSA-N
Compound name
(13Z)-hexadeca-13,15-dien-2,4-diyn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.16707 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17435 161.3
[M+Na]+ 253.15629 169.4
[M-H]- 229.15979 160.8
[M+NH4]+ 248.20089 173.1
[M+K]+ 269.13023 163.9
[M+H-H2O]+ 213.16433 147.8
[M+HCOO]- 275.16527 169.3
[M+CH3COO]- 289.18092 213.2
[M+Na-2H]- 251.14174 161.1
[M]+ 230.16652 154.3
[M]- 230.16762 154.3
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.