CID 10441893

3-(furan-2-yl)butanoic acid

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

CC(CC(=O)O)C1=CC=CO1

InChI

InChI=1S/C8H10O3/c1-6(5-8(9)10)7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H,9,10)

InChIKey

OAYKXVOHCCDXHA-UHFFFAOYSA-N

Compound name

3-(furan-2-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 154.06299 Da
Monoisotopic Mass: 1.1
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]+	155.07027	131.6
[M+Na]+	177.05221	141.5
[M+NH4]+	172.09681	138.9
[M+K]+	193.02615	139.6
[M-H]-	153.05571	132.6
[M+Na-2H]-	175.03766	135.3
[M]+	154.06244	133.0
[M]-	154.06354	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe