CID 15558632

1-acetoxy-4,6-tetradecadiene-8,10,12-triyne

Structural Information

Molecular Formula
C16H16O2
SMILES
CC#CC#CC#C/C=C/C=C/CCCOC(=O)C
InChI
InChI=1S/C16H16O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h9-12H,13-15H2,1-2H3/b10-9+,12-11+
InChIKey
CWMYRIMGSBQMJG-HULFFUFUSA-N
Compound name
[(4E,6E)-tetradeca-4,6-dien-8,10,12-triynyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.11504 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 195.3
[M+Na]+ 263.10426 199.5
[M+NH4]+ 258.14886 193.1
[M+K]+ 279.07820 190.4
[M-H]- 239.10776 184.3
[M+Na-2H]- 261.08971 190.2
[M]+ 240.11449 191.6
[M]- 240.11559 191.6
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.