CID 43124155

2,2,2-trifluoro-1-(1-methyl-1h-pyrazol-4-yl)ethan-1-amine

Structural Information

Molecular Formula
C6H8F3N3
SMILES
CN1C=C(C=N1)C(C(F)(F)F)N
InChI
InChI=1S/C6H8F3N3/c1-12-3-4(2-11-12)5(10)6(7,8)9/h2-3,5H,10H2,1H3
InChIKey
MPDTYUYXTQCMOL-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

179.06703 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07431 137.1
[M+Na]+ 202.05625 143.8
[M+NH4]+ 197.10085 141.8
[M+K]+ 218.03019 142.3
[M-H]- 178.05975 132.5
[M+Na-2H]- 200.04170 139.7
[M]+ 179.06648 136.2
[M]- 179.06758 136.2
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

patents stripe