CID 545612

2,4,6-trimethyloctane

Structural Information

Molecular Formula
C11H24
SMILES
CCC(C)CC(C)CC(C)C
InChI
InChI=1S/C11H24/c1-6-10(4)8-11(5)7-9(2)3/h9-11H,6-8H2,1-5H3
InChIKey
XHNIFDXYGLPJLP-UHFFFAOYSA-N
Compound name
2,4,6-trimethyloctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

464
Patents

156.1878 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.195076 142.4
[M+Na]+ 179.177018 146.9
[M-H]- 155.180524 142.1
[M+NH4]+ 174.221623 163.6
[M+K]+ 195.150958 146.9
[M+H-H2O]+ 139.185060 137.6
[M+HCOO]- 201.186001 161.6
[M+CH3COO]- 215.201651 185.1
[M+Na-2H]- 177.162466 143.1
[M]+ 156.18725142 143.6
[M]- 156.18834858 143.6
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