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]+ 171.06990 133.4
[M+Na]+ 193.05184 142.5
[M-H]- 169.05534 136.6
[M+NH4]+ 188.09644 153.6
[M+K]+ 209.02578 140.5
[M+H-H2O]+ 153.05988 125.9
[M+HCOO]- 215.06082 150.9
[M+CH3COO]- 229.07647 146.5
[M+Na-2H]- 191.03729 133.8
[M]+ 170.06207 131.4
[M]- 170.06317 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.