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]+ 224.064126 142.2
[M+Na]+ 246.046068 150.2
[M-H]- 222.049574 138.0
[M+NH4]+ 241.090673 158.2
[M+K]+ 262.020008 148.1
[M+H-H2O]+ 206.054110 133.1
[M+HCOO]- 268.055051 158.4
[M+CH3COO]- 282.070701 186.4
[M+Na-2H]- 244.031516 144.1
[M]+ 223.05630142 136.6
[M]- 223.05739858 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.