CID 61924444

2-amino-3-[3-(trifluoromethyl)-1h-pyrazol-1-yl]propanoic acid hydrochloride

Structural Information

Molecular Formula
C7H8F3N3O2
SMILES
C1=CN(N=C1C(F)(F)F)CC(C(=O)O)N
InChI
InChI=1S/C7H8F3N3O2/c8-7(9,10)5-1-2-13(12-5)3-4(11)6(14)15/h1-2,4H,3,11H2,(H,14,15)
InChIKey
WBVYTNJJLHGUTG-UHFFFAOYSA-N
Compound name
2-amino-3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.05685 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06413 145.9
[M+Na]+ 246.04607 150.8
[M+NH4]+ 241.09067 148.7
[M+K]+ 262.02001 151.0
[M-H]- 222.04957 139.5
[M+Na-2H]- 244.03152 146.5
[M]+ 223.05630 144.0
[M]- 223.05740 144.0
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

No patent data available for this compound.