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

15
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

literature stripe

Patent stripe

patents stripe