CID 112562131

4-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C10H13F3N2S
SMILES
C1CC(CCC1C2=CSC(=N2)N)C(F)(F)F
InChI
InChI=1S/C10H13F3N2S/c11-10(12,13)7-3-1-6(2-4-7)8-5-16-9(14)15-8/h5-7H,1-4H2,(H2,14,15)
InChIKey
JMGGKSKMEIHRJU-UHFFFAOYSA-N
Compound name
4-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.07515 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08243 155.2
[M+Na]+ 273.06437 161.7
[M+NH4]+ 268.10897 161.4
[M+K]+ 289.03831 156.7
[M-H]- 249.06787 153.7
[M+Na-2H]- 271.04982 158.0
[M]+ 250.07460 155.7
[M]- 250.07570 155.7
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.