CID 3099489

1,2,4-oxadiazole-3-carbothioamide

Structural Information

Molecular Formula
C3H3N3OS
SMILES
C1=NC(=NO1)C(=S)N
InChI
InChI=1S/C3H3N3OS/c4-2(8)3-5-1-7-6-3/h1H,(H2,4,8)
InChIKey
XSQHJTHMNXYPPY-UHFFFAOYSA-N
Compound name
1,2,4-oxadiazole-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

128.99968 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.00696 122.8
[M+Na]+ 151.98890 132.9
[M+NH4]+ 147.03350 130.5
[M+K]+ 167.96284 129.0
[M-H]- 127.99240 124.3
[M+Na-2H]- 149.97435 126.9
[M]+ 128.99913 124.8
[M]- 129.00023 124.8
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