CID 545661

3-ethyl-3-methyldecane

Structural Information

Molecular Formula
C13H28
SMILES
CCCCCCCC(C)(CC)CC
InChI
InChI=1S/C13H28/c1-5-8-9-10-11-12-13(4,6-2)7-3/h5-12H2,1-4H3
InChIKey
XIVQUUGRQDHITC-UHFFFAOYSA-N
Compound name
3-ethyl-3-methyldecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

184.2191 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.22638 150.6
[M+Na]+ 207.20832 155.5
[M-H]- 183.21182 150.1
[M+NH4]+ 202.25292 171.1
[M+K]+ 223.18226 153.9
[M+H-H2O]+ 167.21636 145.9
[M+HCOO]- 229.21730 170.6
[M+CH3COO]- 243.23295 189.0
[M+Na-2H]- 205.19377 154.7
[M]+ 184.21855 154.2
[M]- 184.21965 154.2
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