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

31
Patents

155.05171 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05899 125.0
[M+Na]+ 178.04093 131.8
[M-H]- 154.04443 128.7
[M+NH4]+ 173.08553 138.6
[M+K]+ 194.01487 132.6
[M+H-H2O]+ 138.04897 112.3
[M+HCOO]- 200.04991 142.0
[M+CH3COO]- 214.06556 178.5
[M+Na-2H]- 176.02638 127.1
[M]+ 155.05116 132.1
[M]- 155.05226 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