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

1946
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

literature stripe

Patent stripe

patents stripe