CID 15559226

Falcarindione

Structural Information

Molecular Formula

C₁₇H₂₀O₂

SMILES

CCCCCCC/C=C/C(=O)C#CC#CC(=O)C=C

InChI

InChI=1S/C17H20O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14H,2-3,5-9H2,1H3/b14-10+

InChIKey

WFXDNWZWONCJFS-GXDHUFHOSA-N

Compound name

(9E)-heptadeca-1,9-dien-4,6-diyne-3,8-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 256.14633 Da
Monoisotopic Mass: 5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.15361	167.9
[M+Na]+	279.13555	176.0
[M-H]-	255.13905	168.2
[M+NH4]+	274.18015	179.2
[M+K]+	295.10949	170.9
[M+H-H2O]+	239.14359	154.0
[M+HCOO]-	301.14453	175.6
[M+CH3COO]-	315.16018	217.9
[M+Na-2H]-	277.12100	165.8
[M]+	256.14578	161.4
[M]-	256.14688	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe