CID 12667607

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

Structural Information

Molecular Formula
C6H5N3OS
SMILES
C1=CSC(=C1)C2=NC(=NO2)N
InChI
InChI=1S/C6H5N3OS/c7-6-8-5(10-9-6)4-2-1-3-11-4/h1-3H,(H2,7,9)
InChIKey
UGBIEXMLZABNKH-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-1,2,4-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.01534 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02262 128.4
[M+Na]+ 190.00456 140.6
[M-H]- 166.00806 134.7
[M+NH4]+ 185.04916 149.1
[M+K]+ 205.97850 139.1
[M+H-H2O]+ 150.01260 122.2
[M+HCOO]- 212.01354 150.8
[M+CH3COO]- 226.02919 143.9
[M+Na-2H]- 187.99001 132.4
[M]+ 167.01479 132.0
[M]- 167.01589 132.0
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.