CID 137952316

2219353-68-9

Structural Information

Molecular Formula

C₆H₁₀FNO₂

SMILES

C1[C@H](CN[C@@H]1CC(=O)O)F

InChI

InChI=1S/C6H10FNO2/c7-4-1-5(8-3-4)2-6(9)10/h4-5,8H,1-3H2,(H,9,10)/t4-,5+/m1/s1

InChIKey

RELUHGZYAOGPIR-UHNVWZDZSA-N

Compound name

2-[(2R,4R)-4-fluoropyrrolidin-2-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 147.06955 Da
Monoisotopic Mass: -2.4
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	129.6
[M+Na]+	170.058768	136.1
[M-H]-	146.062274	127.5
[M+NH4]+	165.103373	149.8
[M+K]+	186.032708	134.2
[M+H-H2O]+	130.066810	123.4
[M+HCOO]-	192.067751	147.1
[M+CH3COO]-	206.083401	168.3
[M+Na-2H]-	168.044216	131.5
[M]+	147.06900142	123.6
[M]-	147.07009858	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.