CID 185604

2,2,3,3,4,4-hexamethyldecane

Structural Information

Molecular Formula
C16H34
SMILES
CCCCCCC(C)(C)C(C)(C)C(C)(C)C
InChI
InChI=1S/C16H34/c1-9-10-11-12-13-15(5,6)16(7,8)14(2,3)4/h9-13H2,1-8H3
InChIKey
SSCYWBFGEPBPAK-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4-hexamethyldecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

211
Patents

226.26605 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.27333 163.5
[M+Na]+ 249.25527 172.2
[M+NH4]+ 244.29987 170.7
[M+K]+ 265.22921 166.6
[M-H]- 225.25877 162.0
[M+Na-2H]- 247.24072 165.9
[M]+ 226.26550 164.5
[M]- 226.26660 164.5
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