CID 12246467

5-(propan-2-yl)-1,2,4-thiadiazol-3-amine

Structural Information

Molecular Formula
C5H9N3S
SMILES
CC(C)C1=NC(=NS1)N
InChI
InChI=1S/C5H9N3S/c1-3(2)4-7-5(6)8-9-4/h3H,1-2H3,(H2,6,8)
InChIKey
QGXXNRYSKCUSPR-UHFFFAOYSA-N
Compound name
5-propan-2-yl-1,2,4-thiadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.05171 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05899 128.3
[M+Na]+ 166.04093 138.4
[M+NH4]+ 161.08553 136.7
[M+K]+ 182.01487 133.6
[M-H]- 142.04443 129.3
[M+Na-2H]- 164.02638 132.8
[M]+ 143.05116 130.2
[M]- 143.05226 130.2
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.