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]+ 251.082426 150.4
[M+Na]+ 273.064368 157.7
[M-H]- 249.067874 151.3
[M+NH4]+ 268.108973 168.2
[M+K]+ 289.038308 153.4
[M+H-H2O]+ 233.072410 141.4
[M+HCOO]- 295.073351 162.0
[M+CH3COO]- 309.089001 191.7
[M+Na-2H]- 271.049816 149.2
[M]+ 250.07460142 142.9
[M]- 250.07569858 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.