CID 94213

5-methylundecane

Structural Information

Molecular Formula
C12H26
SMILES
CCCCCCC(C)CCCC
InChI
InChI=1S/C12H26/c1-4-6-8-9-11-12(3)10-7-5-2/h12H,4-11H2,1-3H3
InChIKey
QULNVKABFWNUCW-UHFFFAOYSA-N
Compound name
5-methylundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2425
Patents

170.20345 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.21073 144.9
[M+Na]+ 193.19267 155.0
[M+NH4]+ 188.23727 153.3
[M+K]+ 209.16661 147.4
[M-H]- 169.19617 145.3
[M+Na-2H]- 191.17812 148.3
[M]+ 170.20290 146.4
[M]- 170.20400 146.4
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