CID 5352699

(e)-1,3-tridecadiene-5,7,9,11-tetrayne

Structural Information

Molecular Formula
C13H8
SMILES
CC#CC#CC#CC#C/C=C/C=C
InChI
InChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7H,1H2,2H3/b7-5+
InChIKey
PXQLZFYDZKYLPY-FNORWQNLSA-N
Compound name
(3E)-trideca-1,3-dien-5,7,9,11-tetrayne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

164.0626 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06988 161.9
[M+Na]+ 187.05182 167.6
[M-H]- 163.05532 165.6
[M+NH4]+ 182.09642 166.4
[M+K]+ 203.02576 164.5
[M+H-H2O]+ 147.05986 154.7
[M+HCOO]- 209.06080 162.5
[M+CH3COO]- 223.07645 241.8
[M+Na-2H]- 185.03727 159.4
[M]+ 164.06205 156.8
[M]- 164.06315 156.8
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