CID 178200048

4-ethynylfuran-2-carboxylic acid

Structural Information

Molecular Formula
C7H4O3
SMILES
C#CC1=COC(=C1)C(=O)O
InChI
InChI=1S/C7H4O3/c1-2-5-3-6(7(8)9)10-4-5/h1,3-4H,(H,8,9)
InChIKey
SGJYJPOZCCGIDU-UHFFFAOYSA-N
Compound name
4-ethynylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.01604 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.023316 125.0
[M+Na]+ 159.005258 136.3
[M-H]- 135.008764 126.9
[M+NH4]+ 154.049863 144.2
[M+K]+ 174.979198 134.3
[M+H-H2O]+ 119.013300 114.1
[M+HCOO]- 181.014241 142.7
[M+CH3COO]- 195.029891 177.7
[M+Na-2H]- 156.990706 129.7
[M]+ 136.01549142 120.8
[M]- 136.01658858 120.8
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

No patent data available for this compound.