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]+	148.076826	129.5
[M+Na]+	170.058768	136.1
[M-H]-	146.062274	127.4
[M+NH4]+	165.103373	151.4
[M+K]+	186.032708	134.3
[M+H-H2O]+	130.066810	124.0
[M+HCOO]-	192.067751	147.1
[M+CH3COO]-	206.083401	166.7
[M+Na-2H]-	168.044216	133.3
[M]+	147.06900142	123.5
[M]-	147.07009858	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe