CID 7131507

28730-32-7

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

CC1=C(OC(=C1C(=O)O)C)C

InChI

InChI=1S/C8H10O3/c1-4-5(2)11-6(3)7(4)8(9)10/h1-3H3,(H,9,10)

InChIKey

BAZBYDHOWMSZBD-UHFFFAOYSA-N

Compound name

2,4,5-trimethylfuran-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 83
Patents: 154.06299 Da
Monoisotopic Mass: 1.7
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	129.9
[M+Na]+	177.05221	141.3
[M+NH4]+	172.09681	137.4
[M+K]+	193.02615	139.3
[M-H]-	153.05571	131.4
[M+Na-2H]-	175.03766	133.5
[M]+	154.06244	131.8
[M]-	154.06354	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe