CID 69801

Hexadecane, 1,1-diethoxy-

Structural Information

Molecular Formula
C20H42O2
SMILES
CCCCCCCCCCCCCCCC(OCC)OCC
InChI
InChI=1S/C20H42O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-5-2)22-6-3/h20H,4-19H2,1-3H3
InChIKey
YURMTKBNIXEQDJ-UHFFFAOYSA-N
Compound name
1,1-diethoxyhexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

314.31848 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.325756 189.7
[M+Na]+ 337.307698 190.9
[M-H]- 313.311204 187.4
[M+NH4]+ 332.352303 204.5
[M+K]+ 353.281638 188.4
[M+H-H2O]+ 297.315740 182.4
[M+HCOO]- 359.316681 208.3
[M+CH3COO]- 373.332331 213.9
[M+Na-2H]- 335.293146 187.9
[M]+ 314.31793142 198.6
[M]- 314.31902858 198.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe