CID 3085573

3,5-hexadecadiyne, 16,16-diethoxy-

Structural Information

Molecular Formula
C20H34O2
SMILES
CCC#CC#CCCCCCCCCCC(OCC)OCC
InChI
InChI=1S/C20H34O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-5-2)22-6-3/h20H,4-6,11-19H2,1-3H3
InChIKey
YYFBNSVCSFJVJE-UHFFFAOYSA-N
Compound name
16,16-diethoxyhexadeca-3,5-diyne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

306.2559 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 170.6
[M+Na]+ 329.24512 177.3
[M-H]- 305.24862 170.4
[M+NH4]+ 324.28972 180.9
[M+K]+ 345.21906 173.2
[M+H-H2O]+ 289.25316 156.3
[M+HCOO]- 351.25410 178.1
[M+CH3COO]- 365.26975 225.7
[M+Na-2H]- 327.23057 169.1
[M]+ 306.25535 167.4
[M]- 306.25645 167.4
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

patents stripe