CID 45156407

100191-39-7

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

CC1=C(CCO1)C(=O)O

InChI

InChI=1S/C6H8O3/c1-4-5(6(7)8)2-3-9-4/h2-3H2,1H3,(H,7,8)

InChIKey

FFOIBOBGLQIZSB-UHFFFAOYSA-N

Compound name

5-methyl-2,3-dihydrofuran-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 128.04735 Da
Monoisotopic Mass: 0.4
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]+	129.05463	123.5
[M+Na]+	151.03657	133.6
[M+NH4]+	146.08117	131.3
[M+K]+	167.01051	131.8
[M-H]-	127.04007	124.7
[M+Na-2H]-	149.02202	127.1
[M]+	128.04680	125.0
[M]-	128.04790	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe