CID 545604

4-methyl-5-propylnonane

Structural Information

Molecular Formula
C13H28
SMILES
CCCCC(CCC)C(C)CCC
InChI
InChI=1S/C13H28/c1-5-8-11-13(10-7-3)12(4)9-6-2/h12-13H,5-11H2,1-4H3
InChIKey
XSMMHKQHDCOSCO-UHFFFAOYSA-N
Compound name
4-methyl-5-propylnonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

184.2191 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.22638 151.8
[M+Na]+ 207.20832 155.7
[M-H]- 183.21182 151.0
[M+NH4]+ 202.25292 172.0
[M+K]+ 223.18226 154.6
[M+H-H2O]+ 167.21636 146.5
[M+HCOO]- 229.21730 171.3
[M+CH3COO]- 243.23295 190.3
[M+Na-2H]- 205.19377 152.6
[M]+ 184.21855 154.4
[M]- 184.21965 154.4
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