CID 5368821

3016-19-1

Structural Information

Molecular Formula
C10H16
SMILES
C/C=C(\C)/C=C/C=C(C)C
InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+
InChIKey
GQVMHMFBVWSSPF-SOYUKNQTSA-N
Compound name
(4E,6E)-2,6-dimethylocta-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

7
References

6637
Patents

136.1252 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 132.8
[M+Na]+ 159.114418 139.1
[M-H]- 135.117924 132.9
[M+NH4]+ 154.159023 155.0
[M+K]+ 175.088358 137.1
[M+H-H2O]+ 119.122460 128.6
[M+HCOO]- 181.123401 154.0
[M+CH3COO]- 195.139051 176.3
[M+Na-2H]- 157.099866 135.6
[M]+ 136.12465142 132.0
[M]- 136.12574858 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

patents stripe