CID 545792

2,2,4-trimethyldecane

Structural Information

Molecular Formula
C13H28
SMILES
CCCCCCC(C)CC(C)(C)C
InChI
InChI=1S/C13H28/c1-6-7-8-9-10-12(2)11-13(3,4)5/h12H,6-11H2,1-5H3
InChIKey
ZWJKFSZYIOCMGF-UHFFFAOYSA-N
Compound name
2,2,4-trimethyldecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

184.2191 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.22638 149.8
[M+Na]+ 207.20832 159.5
[M+NH4]+ 202.25292 157.9
[M+K]+ 223.18226 152.8
[M-H]- 183.21182 149.5
[M+Na-2H]- 205.19377 152.8
[M]+ 184.21855 151.1
[M]- 184.21965 151.1
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