CID 101410676

2,4,6,8-tridecatetrayne

Structural Information

Molecular Formula
C13H12
SMILES
CCCCC#CC#CC#CC#CC
InChI
InChI=1S/C13H12/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7H2,1-2H3
InChIKey
MMEHWMNDRAXORE-UHFFFAOYSA-N
Compound name
trideca-2,4,6,8-tetrayne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.0939 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.101176 159.7
[M+Na]+ 191.083118 165.3
[M-H]- 167.086624 163.4
[M+NH4]+ 186.127723 164.3
[M+K]+ 207.057058 162.5
[M+H-H2O]+ 151.091160 152.5
[M+HCOO]- 213.092101 160.3
[M+CH3COO]- 227.107751 242.2
[M+Na-2H]- 189.068566 157.5
[M]+ 168.09335142 155.0
[M]- 168.09444858 155.0
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.