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 133.2
[M+Na]+ 202.05625 141.7
[M-H]- 178.05975 128.9
[M+NH4]+ 197.10085 151.2
[M+K]+ 218.03019 139.0
[M+H-H2O]+ 162.06429 124.3
[M+HCOO]- 224.06523 150.0
[M+CH3COO]- 238.08088 179.2
[M+Na-2H]- 200.04170 136.5
[M]+ 179.06648 125.7
[M]- 179.06758 125.7
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.