CID 85150

2,2-dimethyloctane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3247
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 136.8
[M+Na]+ 165.16137 143.0
[M-H]- 141.16487 136.9
[M+NH4]+ 160.20597 159.1
[M+K]+ 181.13531 142.3
[M+H-H2O]+ 125.16941 132.8
[M+HCOO]- 187.17035 157.8
[M+CH3COO]- 201.18600 179.3
[M+Na-2H]- 163.14682 142.5
[M]+ 142.17160 139.1
[M]- 142.17270 139.1
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