CID 117131

5-hexadecyne, 16,16-diethoxy-

Structural Information

Molecular Formula
C20H38O2
SMILES
CCCCC#CCCCCCCCCCC(OCC)OCC
InChI
InChI=1S/C20H38O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-5-2)22-6-3/h20H,4-8,11-19H2,1-3H3
InChIKey
HNZDZJYRSDSKMW-UHFFFAOYSA-N
Compound name
16,16-diethoxyhexadec-5-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.28717 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.294446 175.7
[M+Na]+ 333.276388 180.2
[M-H]- 309.279894 173.5
[M+NH4]+ 328.320993 189.3
[M+K]+ 349.250328 176.6
[M+H-H2O]+ 293.284430 163.2
[M+HCOO]- 355.285371 189.7
[M+CH3COO]- 369.301021 215.9
[M+Na-2H]- 331.261836 174.7
[M]+ 310.28662142 177.9
[M]- 310.28771858 177.9
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.