CID 2063687

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

Structural Information

Molecular Formula
C7H11N3S
SMILES
C1CCC(C1)C2=NN=C(S2)N
InChI
InChI=1S/C7H11N3S/c8-7-10-9-6(11-7)5-3-1-2-4-5/h5H,1-4H2,(H2,8,10)
InChIKey
MGSBORAJOCQFOK-UHFFFAOYSA-N
Compound name
5-cyclopentyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

31
Patents

169.06737 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07465 134.2
[M+Na]+ 192.05659 142.7
[M-H]- 168.06009 138.5
[M+NH4]+ 187.10119 155.8
[M+K]+ 208.03053 140.5
[M+H-H2O]+ 152.06463 127.3
[M+HCOO]- 214.06557 152.5
[M+CH3COO]- 228.08122 147.6
[M+Na-2H]- 190.04204 134.2
[M]+ 169.06682 132.0
[M]- 169.06792 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

literature stripe

Patent stripe

patents stripe