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]+ 209.053236 138.4
[M+Na]+ 231.035178 145.6
[M-H]- 207.038684 133.9
[M+NH4]+ 226.079783 155.4
[M+K]+ 247.009118 142.7
[M+H-H2O]+ 191.043220 130.7
[M+HCOO]- 253.044161 153.7
[M+CH3COO]- 267.059811 179.5
[M+Na-2H]- 229.020626 142.6
[M]+ 208.04541142 130.0
[M]- 208.04650858 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.