CID 441552

1-tridecene-3,5,7,9,11-pentayne

Structural Information

Molecular Formula
C13H6
SMILES
CC#CC#CC#CC#CC#CC=C
InChI
InChI=1S/C13H6/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1H2,2H3
InChIKey
KKBHBCOJHHCOCL-UHFFFAOYSA-N
Compound name
tridec-1-en-3,5,7,9,11-pentayne
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

162.04695 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05423 148.0
[M+Na]+ 185.03617 151.1
[M-H]- 161.03967 151.0
[M+NH4]+ 180.08077 150.1
[M+K]+ 201.01011 149.5
[M+H-H2O]+ 145.04421 144.5
[M+HCOO]- 207.04515 147.8
[M+CH3COO]- 221.06080 249.7
[M+Na-2H]- 183.02162 145.9
[M]+ 162.04640 145.5
[M]- 162.04750 145.5
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