CID 85151

4,4-dimethyloctane

Structural Information

Molecular Formula
C10H22
SMILES
CCCCC(C)(C)CCC
InChI
InChI=1S/C10H22/c1-5-7-9-10(3,4)8-6-2/h5-9H2,1-4H3
InChIKey
ZMEDGZAGMLTROM-UHFFFAOYSA-N
Compound name
4,4-dimethyloctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

636
Patents

142.17215 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.17943 136.6
[M+Na]+ 165.16137 142.7
[M-H]- 141.16487 136.7
[M+NH4]+ 160.20597 158.8
[M+K]+ 181.13531 142.0
[M+H-H2O]+ 125.16941 132.5
[M+HCOO]- 187.17035 157.6
[M+CH3COO]- 201.18600 179.9
[M+Na-2H]- 163.14682 142.3
[M]+ 142.17160 139.0
[M]- 142.17270 139.0
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