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]+ 319.263176 170.1
[M+Na]+ 341.245118 176.5
[M-H]- 317.248624 171.2
[M+NH4]+ 336.289723 178.9
[M+K]+ 357.219058 170.7
[M+H-H2O]+ 301.253160 155.1
[M+HCOO]- 363.254101 175.7
[M+CH3COO]- 377.269751 224.8
[M+Na-2H]- 339.230566 169.6
[M]+ 318.25535142 163.4
[M]- 318.25644858 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.