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

literature stripe

Patent stripe

patents stripe