CID 43556078

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

Structural Information

Molecular Formula
C8H13N3S
SMILES
C1CCC(CC1)C2=NSC(=N2)N
InChI
InChI=1S/C8H13N3S/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,10,11)
InChIKey
CHRXCSKMDKMYLX-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08302 Da
Monoisotopic Mass

2.6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.