CID 912122

33621-24-8

Structural Information

Molecular Formula

C₈H₆N₂O₄S

SMILES

C1=COC(=C1)C2=NN=C(O2)SCC(=O)O

InChI

InChI=1S/C8H6N2O4S/c11-6(12)4-15-8-10-9-7(14-8)5-2-1-3-13-5/h1-3H,4H2,(H,11,12)

InChIKey

WMMOVVYXIVGNHJ-UHFFFAOYSA-N

Compound name

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 226.00482 Da
Monoisotopic Mass: 1.0
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]+	227.01210	145.1
[M+Na]+	248.99404	156.5
[M+NH4]+	244.03864	151.5
[M+K]+	264.96798	155.0
[M-H]-	224.99754	147.9
[M+Na-2H]-	246.97949	149.3
[M]+	226.00427	147.8
[M]-	226.00537	147.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.