CID 280943

5,7-dimethylocta-1,6-diene

Structural Information

Molecular Formula
C10H18
SMILES
CC(CCC=C)C=C(C)C
InChI
InChI=1S/C10H18/c1-5-6-7-10(4)8-9(2)3/h5,8,10H,1,6-7H2,2-4H3
InChIKey
FYZHLRMYDRUDES-UHFFFAOYSA-N
Compound name
5,7-dimethylocta-1,6-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

926
Patents

138.14085 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.14813 135.2
[M+Na]+ 161.13007 145.5
[M+NH4]+ 156.17467 143.3
[M+K]+ 177.10401 139.0
[M-H]- 137.13357 135.0
[M+Na-2H]- 159.11552 138.4
[M]+ 138.14030 136.4
[M]- 138.14140 136.4
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

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