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

33
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 128.2
[M+Na]+ 188.04060 137.5
[M-H]- 164.04410 124.0
[M+NH4]+ 183.08520 146.9
[M+K]+ 204.01454 134.5
[M+H-H2O]+ 148.04864 119.5
[M+HCOO]- 210.04958 146.4
[M+CH3COO]- 224.06523 175.3
[M+Na-2H]- 186.02605 133.3
[M]+ 165.05083 121.0
[M]- 165.05193 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