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]+ 169.10118 159.7
[M+Na]+ 191.08312 165.3
[M-H]- 167.08662 163.4
[M+NH4]+ 186.12772 164.3
[M+K]+ 207.05706 162.5
[M+H-H2O]+ 151.09116 152.5
[M+HCOO]- 213.09210 160.3
[M+CH3COO]- 227.10775 242.2
[M+Na-2H]- 189.06857 157.5
[M]+ 168.09335 155.0
[M]- 168.09445 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.