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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.04405 146.3
[M+Na]+ 181.02599 157.3
[M-H]- 157.02949 148.6
[M+NH4]+ 176.07059 160.1
[M+K]+ 196.99993 152.9
[M+H-H2O]+ 141.03403 131.9
[M+HCOO]- 203.03497 156.3
[M+CH3COO]- 217.05062 203.5
[M+Na-2H]- 179.01144 147.9
[M]+ 158.03622 138.9
[M]- 158.03732 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