CID 60923099

3-cyclopentyl-1,2,4-thiadiazol-5-amine

Structural Information

Molecular Formula
C7H11N3S
SMILES
C1CCC(C1)C2=NSC(=N2)N
InChI
InChI=1S/C7H11N3S/c8-7-9-6(10-11-7)5-3-1-2-4-5/h5H,1-4H2,(H2,8,9,10)
InChIKey
IKRIQQIAOZBZNZ-UHFFFAOYSA-N
Compound name
3-cyclopentyl-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.06737 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.074646 134.2
[M+Na]+ 192.056588 142.7
[M-H]- 168.060094 138.5
[M+NH4]+ 187.101193 155.8
[M+K]+ 208.030528 140.5
[M+H-H2O]+ 152.064630 127.3
[M+HCOO]- 214.065571 152.5
[M+CH3COO]- 228.081221 147.6
[M+Na-2H]- 190.042036 134.2
[M]+ 169.06682142 132.0
[M]- 169.06791858 132.0
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.