CID 3018383

1,1-diethoxytridecane

Structural Information

Molecular Formula
C17H36O2
SMILES
CCCCCCCCCCCCC(OCC)OCC
InChI
InChI=1S/C17H36O2/c1-4-7-8-9-10-11-12-13-14-15-16-17(18-5-2)19-6-3/h17H,4-16H2,1-3H3
InChIKey
XWXXXLODHHHRGE-UHFFFAOYSA-N
Compound name
1,1-diethoxytridecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

272.27155 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.278826 176.2
[M+Na]+ 295.260768 178.6
[M-H]- 271.264274 174.4
[M+NH4]+ 290.305373 192.7
[M+K]+ 311.234708 176.9
[M+H-H2O]+ 255.268810 169.5
[M+HCOO]- 317.269751 195.8
[M+CH3COO]- 331.285401 205.1
[M+Na-2H]- 293.246216 176.0
[M]+ 272.27100142 183.9
[M]- 272.27209858 183.9
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

patents stripe