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

1022
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 134.3
[M+Na]+ 161.13007 140.1
[M-H]- 137.13357 134.3
[M+NH4]+ 156.17467 156.2
[M+K]+ 177.10401 138.7
[M+H-H2O]+ 121.13811 129.9
[M+HCOO]- 183.13905 155.2
[M+CH3COO]- 197.15470 178.6
[M+Na-2H]- 159.11552 137.0
[M]+ 138.14030 134.3
[M]- 138.14140 134.3
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