CID 130028283

1-(furan-2-yl)hexa-2,4-diyn-1-one

Structural Information

Molecular Formula

C₁₀H₆O₂

SMILES

CC#CC#CC(=O)C1=CC=CO1

InChI

InChI=1S/C10H6O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,1H3

InChIKey

DNSSTOIROGGSJV-UHFFFAOYSA-N

Compound name

1-(furan-2-yl)hexa-2,4-diyn-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.03677 Da
Monoisotopic Mass: 1.9
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]+	159.04405	157.8
[M+Na]+	181.02599	166.3
[M+NH4]+	176.07059	158.3
[M+K]+	196.99993	157.5
[M-H]-	157.02949	146.9
[M+Na-2H]-	179.01144	156.0
[M]+	158.03622	154.6
[M]-	158.03732	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe