CID 108309

4,11-dimethyltetradecane

Structural Information

Molecular Formula
C16H34
SMILES
CCCC(C)CCCCCCC(C)CCC
InChI
InChI=1S/C16H34/c1-5-11-15(3)13-9-7-8-10-14-16(4)12-6-2/h15-16H,5-14H2,1-4H3
InChIKey
BDCDHEIUTMAZLJ-UHFFFAOYSA-N
Compound name
4,11-dimethyltetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.26605 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.273326 165.7
[M+Na]+ 249.255268 168.4
[M-H]- 225.258774 164.4
[M+NH4]+ 244.299873 184.2
[M+K]+ 265.229208 166.5
[M+H-H2O]+ 209.263310 159.8
[M+HCOO]- 271.264251 184.2
[M+CH3COO]- 285.279901 199.3
[M+Na-2H]- 247.240716 164.9
[M]+ 226.26550142 169.5
[M]- 226.26659858 169.5
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.