CID 10933632

Dichloro[(2,6,10-dodecatriene)-1,12-diyl]ruthenium(iv)

Structural Information

Molecular Formula
C12H20
SMILES
C/C=C/CC/C=C/CC/C=C\C
InChI
InChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3-6,11-12H,7-10H2,1-2H3/b5-3-,6-4+,12-11+
InChIKey
VSRRYUHUBIVZHZ-MSOPCINESA-N
Compound name
(2Z,6E,10E)-dodeca-2,6,10-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

164.1565 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.163776 141.5
[M+Na]+ 187.145718 147.5
[M-H]- 163.149224 141.1
[M+NH4]+ 182.190323 162.7
[M+K]+ 203.119658 144.1
[M+H-H2O]+ 147.153760 136.7
[M+HCOO]- 209.154701 164.1
[M+CH3COO]- 223.170351 180.9
[M+Na-2H]- 185.131166 145.7
[M]+ 164.15595142 142.9
[M]- 164.15704858 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.