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

36
Patents

165.05138 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.05866 132.3
[M+Na]+ 188.04060 139.0
[M+NH4]+ 183.08520 136.9
[M+K]+ 204.01454 137.3
[M-H]- 164.04410 127.4
[M+Na-2H]- 186.02605 135.0
[M]+ 165.05083 131.3
[M]- 165.05193 131.3
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