CID 3086092

(3r)-3-ethoxy-2-methyldodecane

Structural Information

Molecular Formula
C15H32O
SMILES
CCCCCCCCC[C@H](C(C)C)OCC
InChI
InChI=1S/C15H32O/c1-5-7-8-9-10-11-12-13-15(14(3)4)16-6-2/h14-15H,5-13H2,1-4H3/t15-/m1/s1
InChIKey
APDVJSCLYRGFFF-OAHLLOKOSA-N
Compound name
(3R)-3-ethoxy-2-methyldodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

228.24532 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.252596 164.5
[M+Na]+ 251.234538 167.6
[M-H]- 227.238044 163.3
[M+NH4]+ 246.279143 182.9
[M+K]+ 267.208478 166.4
[M+H-H2O]+ 211.242580 158.6
[M+HCOO]- 273.243521 183.6
[M+CH3COO]- 287.259171 198.1
[M+Na-2H]- 249.219986 164.2
[M]+ 228.24477142 169.4
[M]- 228.24586858 169.4
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