CID 50896787

[5-(trifluoromethyl)-1h-pyrazol-3-yl]methanamine dihydrochloride

Structural Information

Molecular Formula
C5H6F3N3
SMILES
C1=C(NN=C1C(F)(F)F)CN
InChI
InChI=1S/C5H6F3N3/c6-5(7,8)4-1-3(2-9)10-11-4/h1H,2,9H2,(H,10,11)
InChIKey
LLYMWMOKKONGOI-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

165.05138 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.058656 128.2
[M+Na]+ 188.040598 137.5
[M-H]- 164.044104 124.0
[M+NH4]+ 183.085203 146.9
[M+K]+ 204.014538 134.5
[M+H-H2O]+ 148.048640 119.5
[M+HCOO]- 210.049581 146.4
[M+CH3COO]- 224.065231 175.3
[M+Na-2H]- 186.026046 133.3
[M]+ 165.05083142 121.0
[M]- 165.05192858 121.0
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