CID 519387

3,7-dimethylundecane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

42
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.