CID 121552855

Sodium 2-amino-3,3,3-trifluoro-2-(1h-pyrrol-2-yl)propanoate

Structural Information

Molecular Formula
C7H7F3N2O2
SMILES
C1=CNC(=C1)C(C(=O)O)(C(F)(F)F)N
InChI
InChI=1S/C7H7F3N2O2/c8-7(9,10)6(11,5(13)14)4-2-1-3-12-4/h1-3,12H,11H2,(H,13,14)
InChIKey
IIYPXQNPQQYUFN-UHFFFAOYSA-N
Compound name
2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04596 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05324 138.4
[M+Na]+ 231.03518 145.6
[M-H]- 207.03868 133.9
[M+NH4]+ 226.07978 155.4
[M+K]+ 247.00912 142.7
[M+H-H2O]+ 191.04322 130.7
[M+HCOO]- 253.04416 153.7
[M+CH3COO]- 267.05981 179.5
[M+Na-2H]- 229.02063 142.6
[M]+ 208.04541 130.0
[M]- 208.04651 130.0
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.