CID 138117

3,3-dimethyloctane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

897
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 136.1
[M+Na]+ 165.16137 146.6
[M+NH4]+ 160.20597 144.7
[M+K]+ 181.13531 139.9
[M-H]- 141.16487 136.1
[M+Na-2H]- 163.14682 140.2
[M]+ 142.17160 137.6
[M]- 142.17270 137.6
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