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]+ 211.05113 138.9
[M+Na]+ 233.03307 147.8
[M-H]- 209.03657 137.4
[M+NH4]+ 228.07767 158.5
[M+K]+ 249.00701 144.8
[M+H-H2O]+ 193.04111 130.6
[M+HCOO]- 255.04205 152.9
[M+CH3COO]- 269.05770 185.9
[M+Na-2H]- 231.01852 139.0
[M]+ 210.04330 135.6
[M]- 210.04440 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.