CID 3085575

2-((11,13-hexadecadiynyl)oxy)tetrahydro-2h-pyran

Structural Information

Molecular Formula
C21H34O2
SMILES
CCC#CC#CCCCCCCCCCCO[C@@H]1CCCCO1
InChI
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-21-18-15-17-20-23-21/h21H,2,7-20H2,1H3/t21-/m0/s1
InChIKey
DVYGANATDQMVTE-NRFANRHFSA-N
Compound name
(2R)-2-hexadeca-11,13-diynoxyoxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.2559 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.26318 193.1
[M+Na]+ 341.24512 199.9
[M+NH4]+ 336.28972 192.7
[M+K]+ 357.21906 187.9
[M-H]- 317.24862 182.5
[M+Na-2H]- 339.23057 189.1
[M]+ 318.25535 189.7
[M]- 318.25645 189.7
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.