CID 71755701

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

Structural Information

Molecular Formula
C6H11N5S
SMILES
C1CN(CCN1)C2=NC(=NS2)N
InChI
InChI=1S/C6H11N5S/c7-5-9-6(12-10-5)11-3-1-8-2-4-11/h8H,1-4H2,(H2,7,10)
InChIKey
KUHWHTNUSQJVKP-UHFFFAOYSA-N
Compound name
5-piperazin-1-yl-1,2,4-thiadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.07352 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.08080 137.5
[M+Na]+ 208.06274 145.2
[M-H]- 184.06624 137.2
[M+NH4]+ 203.10734 153.0
[M+K]+ 224.03668 141.3
[M+H-H2O]+ 168.07078 129.2
[M+HCOO]- 230.07172 149.9
[M+CH3COO]- 244.08737 148.3
[M+Na-2H]- 206.04819 139.1
[M]+ 185.07297 131.8
[M]- 185.07407 131.8
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

No patent data available for this compound.