CID 89388564

5-ethynylfuran-2-carboxylic acid

Structural Information

Molecular Formula
C7H4O3
SMILES
C#CC1=CC=C(O1)C(=O)O
InChI
InChI=1S/C7H4O3/c1-2-5-3-4-6(10-5)7(8)9/h1,3-4H,(H,8,9)
InChIKey
RHOUKXDXNLOVNW-UHFFFAOYSA-N
Compound name
5-ethynylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

136.01604 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.02332 125.0
[M+Na]+ 159.00526 136.3
[M-H]- 135.00876 126.9
[M+NH4]+ 154.04986 144.2
[M+K]+ 174.97920 134.3
[M+H-H2O]+ 119.01330 114.1
[M+HCOO]- 181.01424 142.7
[M+CH3COO]- 195.02989 177.7
[M+Na-2H]- 156.99071 129.7
[M]+ 136.01549 120.8
[M]- 136.01659 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

patents stripe