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

20
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 124.4
[M+Na]+ 159.00526 135.2
[M+NH4]+ 154.04986 128.4
[M+K]+ 174.97920 129.9
[M-H]- 135.00876 117.5
[M+Na-2H]- 156.99071 126.0
[M]+ 136.01549 123.0
[M]- 136.01659 123.0
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