CID 112483

2,2,3-trimethyldecane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

683
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 150.7
[M+Na]+ 207.20832 155.5
[M-H]- 183.21182 150.4
[M+NH4]+ 202.25292 171.3
[M+K]+ 223.18226 154.4
[M+H-H2O]+ 167.21636 146.2
[M+HCOO]- 229.21730 169.8
[M+CH3COO]- 243.23295 189.1
[M+Na-2H]- 205.19377 153.6
[M]+ 184.21855 153.6
[M]- 184.21965 153.6
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.