CID 20414

2,2,4,4,6,8,8-heptamethylnonane

Structural Information

Molecular Formula
C16H34
SMILES
CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C
InChI
InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3
InChIKey
VCLJODPNBNEBKW-UHFFFAOYSA-N
Compound name
2,2,4,4,6,8,8-heptamethylnonane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

1756
Patents

226.26605 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.27333 163.5
[M+Na]+ 249.25527 171.9
[M+NH4]+ 244.29987 170.5
[M+K]+ 265.22921 167.1
[M-H]- 225.25877 161.8
[M+Na-2H]- 247.24072 165.5
[M]+ 226.26550 164.4
[M]- 226.26660 164.4
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