CID 5463316

3,7-dimethylocta-2e,4e-diene

Structural Information

Molecular Formula
C10H18
SMILES
C/C=C(\C)/C=C/CC(C)C
InChI
InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5-6,8-9H,7H2,1-4H3/b8-6+,10-5+
InChIKey
NXFMFYVNTLULFW-SOYUKNQTSA-N
Compound name
(2E,4E)-3,7-dimethylocta-2,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 134.4
[M+Na]+ 161.13007 140.4
[M-H]- 137.13357 134.5
[M+NH4]+ 156.17467 156.5
[M+K]+ 177.10401 139.0
[M+H-H2O]+ 121.13811 130.1
[M+HCOO]- 183.13905 155.4
[M+CH3COO]- 197.15470 177.9
[M+Na-2H]- 159.11552 137.1
[M]+ 138.14030 134.4
[M]- 138.14140 134.4
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

patents stripe