CID 56936062

3,5-dimethyl-2e,4e,6e-octatriene

Structural Information

Molecular Formula
C10H16
SMILES
C/C=C/C(=C/C(=C/C)/C)/C
InChI
InChI=1S/C10H16/c1-5-7-10(4)8-9(3)6-2/h5-8H,1-4H3/b7-5+,9-6+,10-8+
InChIKey
RKFRNZNIFDQCMV-AGPUZOHGSA-N
Compound name
(2E,4E,6E)-3,5-dimethylocta-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.1252 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 132.8
[M+Na]+ 159.11442 139.1
[M-H]- 135.11792 132.9
[M+NH4]+ 154.15902 155.0
[M+K]+ 175.08836 137.1
[M+H-H2O]+ 119.12246 128.6
[M+HCOO]- 181.12340 154.0
[M+CH3COO]- 195.13905 176.3
[M+Na-2H]- 157.09987 135.6
[M]+ 136.12465 132.0
[M]- 136.12575 132.0
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

No patent data available for this compound.