CID 2796026

Jedi2

Structural Information

Molecular Formula

C₁₀H₈O₃S

SMILES

CC1=C(C=C(O1)C2=CC=CS2)C(=O)O

InChI

InChI=1S/C10H8O3S/c1-6-7(10(11)12)5-8(13-6)9-3-2-4-14-9/h2-5H,1H3,(H,11,12)

InChIKey

YXDCRSXNEOKXDE-UHFFFAOYSA-N

Compound name

2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 77
Patents: 208.01941 Da
Monoisotopic Mass: 2.3
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]+	209.02669	142.9
[M+Na]+	231.00863	154.8
[M+NH4]+	226.05323	151.4
[M+K]+	246.98257	151.6
[M-H]-	207.01213	146.6
[M+Na-2H]-	228.99408	148.4
[M]+	208.01886	146.1
[M]-	208.01996	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe