CID 23531

2,3-dimethyloctane

Structural Information

Molecular Formula
C10H22
SMILES
CCCCCC(C)C(C)C
InChI
InChI=1S/C10H22/c1-5-6-7-8-10(4)9(2)3/h9-10H,5-8H2,1-4H3
InChIKey
YPMNDMUOGQJCLW-UHFFFAOYSA-N
Compound name
2,3-dimethyloctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

906
Patents

142.17215 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.17943 136.4
[M+Na]+ 165.16137 146.6
[M+NH4]+ 160.20597 145.0
[M+K]+ 181.13531 140.3
[M-H]- 141.16487 136.7
[M+Na-2H]- 163.14682 139.9
[M]+ 142.17160 137.9
[M]- 142.17270 137.9
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