CID 290274

5-amino-1,2,4-thiadiazole

Structural Information

Molecular Formula
C2H3N3S
SMILES
C1=NSC(=N1)N
InChI
InChI=1S/C2H3N3S/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)
InChIKey
VJHTZTZXOKVQRN-UHFFFAOYSA-N
Compound name
1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19411
Patents

101.00477 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.012046 113.3
[M+Na]+ 123.993988 123.5
[M-H]- 99.997494 114.7
[M+NH4]+ 119.038593 135.8
[M+K]+ 139.967928 122.1
[M+H-H2O]+ 84.002030 107.0
[M+HCOO]- 146.002971 133.4
[M+CH3COO]- 160.018621 163.7
[M+Na-2H]- 121.979436 118.4
[M]+ 101.00422142 112.9
[M]- 101.00531858 112.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe