CID 5352703

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

Structural Information

Molecular Formula
C13H8
SMILES
C/C=C\C#CC#CC#CC#CC=C
InChI
InChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4,6H,1H2,2H3/b6-4-
InChIKey
KBEMPFYJJCTZIG-XQRVVYSFSA-N
Compound name
(11Z)-trideca-1,11-dien-3,5,7,9-tetrayne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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 162.1
[M+Na]+ 187.05182 167.8
[M-H]- 163.05532 165.8
[M+NH4]+ 182.09642 166.6
[M+K]+ 203.02576 164.7
[M+H-H2O]+ 147.05986 154.8
[M+HCOO]- 209.06080 162.6
[M+CH3COO]- 223.07645 241.7
[M+Na-2H]- 185.03727 159.6
[M]+ 164.06205 157.0
[M]- 164.06315 157.0
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

No patent data available for this compound.