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]+ 227.27333 165.7
[M+Na]+ 249.25527 168.4
[M-H]- 225.25877 164.4
[M+NH4]+ 244.29987 184.2
[M+K]+ 265.22921 166.5
[M+H-H2O]+ 209.26331 159.8
[M+HCOO]- 271.26425 184.2
[M+CH3COO]- 285.27990 199.3
[M+Na-2H]- 247.24072 164.9
[M]+ 226.26550 169.5
[M]- 226.26660 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.