CID 17511958

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

Structural Information

Molecular Formula
C9H8N2O3S
SMILES
C1=CSC=C1C2=NN=C(O2)CCC(=O)O
InChI
InChI=1S/C9H8N2O3S/c12-8(13)2-1-7-10-11-9(14-7)6-3-4-15-5-6/h3-5H,1-2H2,(H,12,13)
InChIKey
QSWZEGLBYPYKID-UHFFFAOYSA-N
Compound name
3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02556 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03284 145.0
[M+Na]+ 247.01478 155.8
[M-H]- 223.01828 150.2
[M+NH4]+ 242.05938 163.0
[M+K]+ 262.98872 154.3
[M+H-H2O]+ 207.02282 138.9
[M+HCOO]- 269.02376 164.2
[M+CH3COO]- 283.03941 180.9
[M+Na-2H]- 245.00023 146.6
[M]+ 224.02501 150.9
[M]- 224.02611 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.