CID 61339009

2445794-82-9

Structural Information

Molecular Formula
C8H11F3N2S
SMILES
CCC(C)(C1=NC(=CS1)C(F)(F)F)N
InChI
InChI=1S/C8H11F3N2S/c1-3-7(2,12)6-13-5(4-14-6)8(9,10)11/h4H,3,12H2,1-2H3
InChIKey
OBTBURAQQBMMFH-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.05951 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06679 144.2
[M+Na]+ 247.04873 153.2
[M-H]- 223.05223 142.7
[M+NH4]+ 242.09333 163.3
[M+K]+ 263.02267 150.0
[M+H-H2O]+ 207.05677 136.1
[M+HCOO]- 269.05771 157.3
[M+CH3COO]- 283.07336 188.5
[M+Na-2H]- 245.03418 145.7
[M]+ 224.05896 141.2
[M]- 224.06006 141.2
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.