CID 28908331

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

Structural Information

Molecular Formula
C6H10N4S
SMILES
C1CCN(C1)C2=NSC(=N2)N
InChI
InChI=1S/C6H10N4S/c7-5-8-6(9-11-5)10-3-1-2-4-10/h1-4H2,(H2,7,8,9)
InChIKey
FBNDUFVKIUSZFE-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.06262 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.069896 133.4
[M+Na]+ 193.051838 142.5
[M-H]- 169.055344 136.6
[M+NH4]+ 188.096443 153.6
[M+K]+ 209.025778 140.5
[M+H-H2O]+ 153.059880 125.9
[M+HCOO]- 215.060821 150.9
[M+CH3COO]- 229.076471 146.5
[M+Na-2H]- 191.037286 133.8
[M]+ 170.06207142 131.4
[M]- 170.06316858 131.4
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.