CID 519424

5-ethylundecane

Structural Information

Molecular Formula
C13H28
SMILES
CCCCCCC(CC)CCCC
InChI
InChI=1S/C13H28/c1-4-7-9-10-12-13(6-3)11-8-5-2/h13H,4-12H2,1-3H3
InChIKey
MKHPXJRMKJYYON-UHFFFAOYSA-N
Compound name
5-ethylundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

537
Patents

184.2191 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.22638 151.4
[M+Na]+ 207.20832 155.5
[M-H]- 183.21182 150.6
[M+NH4]+ 202.25292 171.6
[M+K]+ 223.18226 154.0
[M+H-H2O]+ 167.21636 146.0
[M+HCOO]- 229.21730 171.9
[M+CH3COO]- 243.23295 189.5
[M+Na-2H]- 205.19377 153.5
[M]+ 184.21855 154.7
[M]- 184.21965 154.7
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