CID 16450167

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

Structural Information

Molecular Formula
C6H9N3S
SMILES
C1CC(C1)C2=NN=C(S2)N
InChI
InChI=1S/C6H9N3S/c7-6-9-8-5(10-6)4-2-1-3-4/h4H,1-3H2,(H2,7,9)
InChIKey
ROBHTWLKDVLHNY-UHFFFAOYSA-N
Compound name
5-cyclobutyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

155.05171 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.058986 125.0
[M+Na]+ 178.040928 131.8
[M-H]- 154.044434 128.7
[M+NH4]+ 173.085533 138.6
[M+K]+ 194.014868 132.6
[M+H-H2O]+ 138.048970 112.3
[M+HCOO]- 200.049911 142.0
[M+CH3COO]- 214.065561 178.5
[M+Na-2H]- 176.026376 127.1
[M]+ 155.05116142 132.1
[M]- 155.05225858 132.1
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

patents stripe