CID 19691526

2503207-77-8

Structural Information

Molecular Formula

C₆H₁₀FNO₂

SMILES

C1CNCC1(CF)C(=O)O

InChI

InChI=1S/C6H10FNO2/c7-3-6(5(9)10)1-2-8-4-6/h8H,1-4H2,(H,9,10)

InChIKey

KBRVKMHENNBCIY-UHFFFAOYSA-N

Compound name

3-(fluoromethyl)pyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 147.06955 Da
Monoisotopic Mass: -2.7
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]+	148.07683	131.5
[M+Na]+	170.05877	138.7
[M+NH4]+	165.10337	139.2
[M+K]+	186.03271	134.9
[M-H]-	146.06227	128.7
[M+Na-2H]-	168.04422	134.9
[M]+	147.06900	131.3
[M]-	147.07010	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe