CID 5322029

(3e,5z)-1,3,5-tridecatriene-7,9,11-triyne

Structural Information

Molecular Formula
C13H10
SMILES
CC#CC#CC#C/C=C/C=C/C=C
InChI
InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7,9,11H,1H2,2H3/b7-5+,11-9+
InChIKey
AJWRNFIZKHPOHC-JEGFTUTRSA-N
Compound name
(3E,5E)-trideca-1,3,5-trien-7,9,11-triyne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

166.07825 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08553 163.2
[M+Na]+ 189.06747 171.5
[M-H]- 165.07097 166.0
[M+NH4]+ 184.11207 171.7
[M+K]+ 205.04141 166.9
[M+H-H2O]+ 149.07551 151.8
[M+HCOO]- 211.07645 166.7
[M+CH3COO]- 225.09210 226.9
[M+Na-2H]- 187.05292 161.7
[M]+ 166.07770 155.4
[M]- 166.07880 155.4
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.