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 150.4
[M+Na]+ 273.06437 157.7
[M-H]- 249.06787 151.3
[M+NH4]+ 268.10897 168.2
[M+K]+ 289.03831 153.4
[M+H-H2O]+ 233.07241 141.4
[M+HCOO]- 295.07335 162.0
[M+CH3COO]- 309.08900 191.7
[M+Na-2H]- 271.04982 149.2
[M]+ 250.07460 142.9
[M]- 250.07570 142.9
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.