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 170.1
[M+Na]+ 341.24512 176.5
[M-H]- 317.24862 171.2
[M+NH4]+ 336.28972 178.9
[M+K]+ 357.21906 170.7
[M+H-H2O]+ 301.25316 155.1
[M+HCOO]- 363.25410 175.7
[M+CH3COO]- 377.26975 224.8
[M+Na-2H]- 339.23057 169.6
[M]+ 318.25535 163.4
[M]- 318.25645 163.4
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.