CID 82373492

4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine

Structural Information

Molecular Formula
C5H5F3N2S
SMILES
CC1=C(SC(=N1)C(F)(F)F)N
InChI
InChI=1S/C5H5F3N2S/c1-2-3(9)11-4(10-2)5(6,7)8/h9H2,1H3
InChIKey
HEZLGCRQAUVTMP-UHFFFAOYSA-N
Compound name
4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.01256 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.01984 137.9
[M+Na]+ 205.00178 145.1
[M+NH4]+ 200.04638 143.8
[M+K]+ 220.97572 140.9
[M-H]- 181.00528 134.5
[M+Na-2H]- 202.98723 140.2
[M]+ 182.01201 138.0
[M]- 182.01311 138.0
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.