CID 597112

92076-93-2

Structural Information

Molecular Formula

C₇H₈F₃NO₃

SMILES

C1CC(N(C1)C(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C7H8F3NO3/c8-7(9,10)6(14)11-3-1-2-4(11)5(12)13/h4H,1-3H2,(H,12,13)

InChIKey

PHJVUZNDIHXSDI-UHFFFAOYSA-N

Compound name

1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 211.04562 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.05290	148.8
[M+Na]+	234.03484	153.3
[M+NH4]+	229.07944	152.1
[M+K]+	250.00878	153.0
[M-H]-	210.03834	142.0
[M+Na-2H]-	232.02029	148.0
[M]+	211.04507	146.8
[M]-	211.04617	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe