CID 638456

15058-72-7

Structural Information

Molecular Formula

C₇H₈O₃

SMILES

CC1=COC(=C1C(=O)O)C

InChI

InChI=1S/C7H8O3/c1-4-3-10-5(2)6(4)7(8)9/h3H,1-2H3,(H,8,9)

InChIKey

JFXXYKVSLHRBAA-UHFFFAOYSA-N

Compound name

2,4-dimethylfuran-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 136
Patents: 140.04735 Da
Monoisotopic Mass: 1.3
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]+	141.05463	125.8
[M+Na]+	163.03657	137.0
[M+NH4]+	158.08117	133.5
[M+K]+	179.01051	135.1
[M-H]-	139.04007	127.3
[M+Na-2H]-	161.02202	129.8
[M]+	140.04680	127.6
[M]-	140.04790	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.