CID 85775343

12-tridecene-4,6,8,10-tetraynal

Structural Information

Molecular Formula
C13H8O
SMILES
C=CC#CC#CC#CC#CCCC=O
InChI
InChI=1S/C13H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,13H,1,11-12H2
InChIKey
OFXBKGMSUXMAMD-UHFFFAOYSA-N
Compound name
tridec-12-en-4,6,8,10-tetraynal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

180.05751 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06479 161.8
[M+Na]+ 203.04673 167.5
[M-H]- 179.05023 165.5
[M+NH4]+ 198.09133 166.2
[M+K]+ 219.02067 164.6
[M+H-H2O]+ 163.05477 154.5
[M+HCOO]- 225.05571 162.4
[M+CH3COO]- 239.07136 242.1
[M+Na-2H]- 201.03218 159.4
[M]+ 180.05696 157.0
[M]- 180.05806 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

patents stripe