CID 732629

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

Structural Information

Molecular Formula
C8H13N3S
SMILES
C1CCC(CC1)C2=NN=C(S2)N
InChI
InChI=1S/C8H13N3S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,11)
InChIKey
BLBDGPFJLDEFFL-UHFFFAOYSA-N
Compound name
5-cyclohexyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

93
Patents

183.08302 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09030 137.7
[M+Na]+ 206.07224 144.7
[M-H]- 182.07574 141.2
[M+NH4]+ 201.11684 156.8
[M+K]+ 222.04618 141.7
[M+H-H2O]+ 166.08028 130.3
[M+HCOO]- 228.08122 153.5
[M+CH3COO]- 242.09687 149.8
[M+Na-2H]- 204.05769 138.9
[M]+ 183.08247 133.5
[M]- 183.08357 133.5
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