CID 108625

1,1-diethoxynonane

Structural Information

Molecular Formula
C13H28O2
SMILES
CCCCCCCCC(OCC)OCC
InChI
InChI=1S/C13H28O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h13H,4-12H2,1-3H3
InChIKey
RJMSGTVQHHFVLK-UHFFFAOYSA-N
Compound name
1,1-diethoxynonane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

74
Patents

216.20892 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.216196 157.9
[M+Na]+ 239.198138 161.9
[M-H]- 215.201644 156.9
[M+NH4]+ 234.242743 176.7
[M+K]+ 255.172078 161.3
[M+H-H2O]+ 199.206180 152.0
[M+HCOO]- 261.207121 178.8
[M+CH3COO]- 275.222771 193.1
[M+Na-2H]- 237.183586 159.9
[M]+ 216.20837142 164.1
[M]- 216.20946858 164.1
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