CID 11511

2,4-dimethylhexane

Structural Information

Molecular Formula
C8H18
SMILES
CCC(C)CC(C)C
InChI
InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKey
HDGQICNBXPAKLR-UHFFFAOYSA-N
Compound name
2,4-dimethylhexane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

3
References

7272
Patents

114.140854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.14813 127.5
[M+Na]+ 137.13007 138.1
[M+NH4]+ 132.17468 136.5
[M+K]+ 153.10401 132.3
[M-H]- 113.13358 127.9
[M+Na-2H]- 135.11552 131.6
[M]+ 114.14031 129.0
[M]- 114.14140 129.0
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