CID 4638544

1,9-diethoxynonane

Structural Information

Molecular Formula
C13H28O2
SMILES
CCOCCCCCCCCCOCC
InChI
InChI=1S/C13H28O2/c1-3-14-12-10-8-6-5-7-9-11-13-15-4-2/h3-13H2,1-2H3
InChIKey
UGTSXCRMHFOFNS-UHFFFAOYSA-N
Compound name
1,9-diethoxynonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

216.20892 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.216196 157.0
[M+Na]+ 239.198138 161.4
[M-H]- 215.201644 156.0
[M+NH4]+ 234.242743 175.9
[M+K]+ 255.172078 160.3
[M+H-H2O]+ 199.206180 151.1
[M+HCOO]- 261.207121 179.0
[M+CH3COO]- 275.222771 192.4
[M+Na-2H]- 237.183586 160.4
[M]+ 216.20837142 164.0
[M]- 216.20946858 164.0
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