CID 20205161

3-(propan-2-yl)furan-2-carboxylic acid

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

CC(C)C1=C(OC=C1)C(=O)O

InChI

InChI=1S/C8H10O3/c1-5(2)6-3-4-11-7(6)8(9)10/h3-5H,1-2H3,(H,9,10)

InChIKey

GGZQXYUJERMCMZ-UHFFFAOYSA-N

Compound name

3-propan-2-ylfuran-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 154.06299 Da
Monoisotopic Mass: 2.0
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	131.0
[M+Na]+	177.05221	141.3
[M+NH4]+	172.09681	138.4
[M+K]+	193.02615	139.7
[M-H]-	153.05571	132.1
[M+Na-2H]-	175.03766	134.6
[M]+	154.06244	132.5
[M]-	154.06354	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe