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 142.2
[M+Na]+ 246.04607 150.2
[M-H]- 222.04957 138.0
[M+NH4]+ 241.09067 158.2
[M+K]+ 262.02001 148.1
[M+H-H2O]+ 206.05411 133.1
[M+HCOO]- 268.05505 158.4
[M+CH3COO]- 282.07070 186.4
[M+Na-2H]- 244.03152 144.1
[M]+ 223.05630 136.6
[M]- 223.05740 136.6
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.