CID 5358327

Dodeca-5,7-diene

Structural Information

Molecular Formula
C12H22
SMILES
CCCC/C=C/C=C/CCCC
InChI
InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3/b11-9+,12-10+
InChIKey
ZARLDNIZTZBEDV-WGDLNXRISA-N
Compound name
(5E,7E)-dodeca-5,7-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

66
Patents

166.17215 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.17943 143.1
[M+Na]+ 189.16137 148.6
[M-H]- 165.16487 142.5
[M+NH4]+ 184.20597 164.1
[M+K]+ 205.13531 145.8
[M+H-H2O]+ 149.16941 138.1
[M+HCOO]- 211.17035 165.4
[M+CH3COO]- 225.18600 182.5
[M+Na-2H]- 187.14682 147.2
[M]+ 166.17160 145.2
[M]- 166.17270 145.2
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.