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
3
Annotation Hits

21
References

1654
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 160.3
[M+Na]+ 249.25527 164.9
[M-H]- 225.25877 160.2
[M+NH4]+ 244.29987 179.5
[M+K]+ 265.22921 164.0
[M+H-H2O]+ 209.26331 156.7
[M+HCOO]- 271.26425 175.4
[M+CH3COO]- 285.27990 198.5
[M+Na-2H]- 247.24072 163.6
[M]+ 226.26550 163.2
[M]- 226.26660 163.2
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.