CID 522006

2,2,6-trimethyloctane

Structural Information

Molecular Formula
C11H24
SMILES
CCC(C)CCCC(C)(C)C
InChI
InChI=1S/C11H24/c1-6-10(2)8-7-9-11(3,4)5/h10H,6-9H2,1-5H3
InChIKey
NBIHFQKVSFKHGH-UHFFFAOYSA-N
Compound name
2,2,6-trimethyloctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

207
Patents

156.1878 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.195076 141.3
[M+Na]+ 179.177018 146.9
[M-H]- 155.180524 141.3
[M+NH4]+ 174.221623 163.0
[M+K]+ 195.150958 146.4
[M+H-H2O]+ 139.185060 137.2
[M+HCOO]- 201.186001 161.0
[M+CH3COO]- 215.201651 183.1
[M+Na-2H]- 177.162466 145.3
[M]+ 156.18725142 143.4
[M]- 156.18834858 143.4
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