CID 82599985

1-[5-(trifluoromethyl)-1h-pyrazol-3-yl]ethan-1-amine

Structural Information

Molecular Formula
C6H8F3N3
SMILES
CC(C1=CC(=NN1)C(F)(F)F)N
InChI
InChI=1S/C6H8F3N3/c1-3(10)4-2-5(12-11-4)6(7,8)9/h2-3H,10H2,1H3,(H,11,12)
InChIKey
HHZBZNKEVOBGRT-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06703 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07431 136.7
[M+Na]+ 202.05625 143.0
[M+NH4]+ 197.10085 141.1
[M+K]+ 218.03019 141.7
[M-H]- 178.05975 131.7
[M+Na-2H]- 200.04170 138.9
[M]+ 179.06648 135.6
[M]- 179.06758 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.