CID 12313692

Heptadeca-7e,9e,15e-trien-11,13-diyn-4-one

Structural Information

Molecular Formula
C17H20O
SMILES
CCCC(=O)CC/C=C/C=C/C#CC#C/C=C/C
InChI
InChI=1S/C17H20O/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(18)15-4-2/h3,5,10-13H,4,14-16H2,1-2H3/b5-3+,11-10+,13-12+
InChIKey
JRTSGUNUURZHCS-LEKYDIDXSA-N
Compound name
(7E,9E,15E)-heptadeca-7,9,15-trien-11,13-diyn-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.15141 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15869 165.8
[M+Na]+ 263.14063 174.3
[M-H]- 239.14413 166.3
[M+NH4]+ 258.18523 177.8
[M+K]+ 279.11457 168.5
[M+H-H2O]+ 223.14867 152.1
[M+HCOO]- 285.14961 174.1
[M+CH3COO]- 299.16526 215.4
[M+Na-2H]- 261.12608 164.6
[M]+ 240.15086 158.9
[M]- 240.15196 158.9
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.