CID 185604

Nonane, heptamethyl-

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

621
Patents

226.26605 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.273326 161.5
[M+Na]+ 249.255268 166.3
[M-H]- 225.258774 161.3
[M+NH4]+ 244.299873 180.7
[M+K]+ 265.229208 164.8
[M+H-H2O]+ 209.263310 157.7
[M+HCOO]- 271.264251 177.5
[M+CH3COO]- 285.279901 198.4
[M+Na-2H]- 247.240716 165.9
[M]+ 226.26550142 165.2
[M]- 226.26659858 165.2
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