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

3
Patents

158.03677 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.044046 146.3
[M+Na]+ 181.025988 157.3
[M-H]- 157.029494 148.6
[M+NH4]+ 176.070593 160.1
[M+K]+ 196.999928 152.9
[M+H-H2O]+ 141.034030 131.9
[M+HCOO]- 203.034971 156.3
[M+CH3COO]- 217.050621 203.5
[M+Na-2H]- 179.011436 147.9
[M]+ 158.03622142 138.9
[M]- 158.03731858 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe