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

12
Patents

224.02556 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.032836 145.0
[M+Na]+ 247.014778 155.8
[M-H]- 223.018284 150.2
[M+NH4]+ 242.059383 163.0
[M+K]+ 262.988718 154.3
[M+H-H2O]+ 207.022820 138.9
[M+HCOO]- 269.023761 164.2
[M+CH3COO]- 283.039411 180.9
[M+Na-2H]- 245.000226 146.6
[M]+ 224.02501142 150.9
[M]- 224.02610858 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

patents stripe