CID 86541

4,5-dimethylnonane

Structural Information

Molecular Formula
C11H24
SMILES
CCCCC(C)C(C)CCC
InChI
InChI=1S/C11H24/c1-5-7-9-11(4)10(3)8-6-2/h10-11H,5-9H2,1-4H3
InChIKey
JDNGDDOTBYZAGS-UHFFFAOYSA-N
Compound name
4,5-dimethylnonane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

198
Patents

156.1878 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.19508 140.9
[M+Na]+ 179.17702 150.8
[M+NH4]+ 174.22162 149.3
[M+K]+ 195.15096 144.3
[M-H]- 155.18052 141.1
[M+Na-2H]- 177.16247 144.1
[M]+ 156.18725 142.3
[M]- 156.18835 142.3
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