CID 10329454

3-(furan-2-yl)but-2-enoic acid

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

C/C(=C\C(=O)O)/C1=CC=CO1

InChI

InChI=1S/C8H8O3/c1-6(5-8(9)10)7-3-2-4-11-7/h2-5H,1H3,(H,9,10)/b6-5+

InChIKey

PWSGIAZISDWKNV-AATRIKPKSA-N

Compound name

(E)-3-(furan-2-yl)but-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 152.04735 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.05463	131.2
[M+Na]+	175.03657	141.1
[M+NH4]+	170.08117	138.2
[M+K]+	191.01051	139.1
[M-H]-	151.04007	132.0
[M+Na-2H]-	173.02202	134.8
[M]+	152.04680	132.5
[M]-	152.04790	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe