CID 7130891

500025-30-9

Structural Information

Molecular Formula

C₉H₈N₂O₃S

SMILES

C1=CSC=C1C2=NOC(=N2)CCC(=O)O

InChI

InChI=1S/C9H8N2O3S/c12-8(13)2-1-7-10-9(11-14-7)6-3-4-15-5-6/h3-5H,1-2H2,(H,12,13)

InChIKey

VOHGDZLOSDQUFU-UHFFFAOYSA-N

Compound name

3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 224.02556 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]+	225.03284	146.3
[M+Na]+	247.01478	157.6
[M+NH4]+	242.05938	153.3
[M+K]+	262.98872	155.0
[M-H]-	223.01828	148.4
[M+Na-2H]-	245.00023	151.3
[M]+	224.02501	148.8
[M]-	224.02611	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe