CID 56828512

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

Structural Information

Molecular Formula
C7H9F3N2S
SMILES
CCC(C1=NC(=CS1)C(F)(F)F)N
InChI
InChI=1S/C7H9F3N2S/c1-2-4(11)6-12-5(3-13-6)7(8,9)10/h3-4H,2,11H2,1H3
InChIKey
GOHBNIVEIOVCMD-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04385 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.051126 138.9
[M+Na]+ 233.033068 147.8
[M-H]- 209.036574 137.4
[M+NH4]+ 228.077673 158.5
[M+K]+ 249.007008 144.8
[M+H-H2O]+ 193.041110 130.6
[M+HCOO]- 255.042051 152.9
[M+CH3COO]- 269.057701 185.9
[M+Na-2H]- 231.018516 139.0
[M]+ 210.04330142 135.6
[M]- 210.04439858 135.6
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.