CID 109372

1-ethoxy-3,6-dimethylnonane

Structural Information

Molecular Formula
C13H28O
SMILES
CCCC(C)CCC(C)CCOCC
InChI
InChI=1S/C13H28O/c1-5-7-12(3)8-9-13(4)10-11-14-6-2/h12-13H,5-11H2,1-4H3
InChIKey
HLIQZYCJOJQKGU-UHFFFAOYSA-N
Compound name
1-ethoxy-3,6-dimethylnonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

200.21402 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.221296 155.2
[M+Na]+ 223.203238 159.1
[M-H]- 199.206744 154.4
[M+NH4]+ 218.247843 174.7
[M+K]+ 239.177178 158.5
[M+H-H2O]+ 183.211280 149.7
[M+HCOO]- 245.212221 174.9
[M+CH3COO]- 259.227871 192.1
[M+Na-2H]- 221.188686 156.0
[M]+ 200.21347142 159.3
[M]- 200.21456858 159.3
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