CID 2774420

497163-88-9

Structural Information

Molecular Formula

C₁₂H₁₂FNO₄

SMILES

C1C(CN(C1C(=O)O)C(=O)C2=CC=C(C=C2)F)O

InChI

InChI=1S/C12H12FNO4/c13-8-3-1-7(2-4-8)11(16)14-6-9(15)5-10(14)12(17)18/h1-4,9-10,15H,5-6H2,(H,17,18)

InChIKey

ZQKMWRGUSKTUKM-UHFFFAOYSA-N

Compound name

1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 253.07504 Da
Monoisotopic Mass: 0.6
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]+	254.082316	153.1
[M+Na]+	276.064258	160.0
[M-H]-	252.067764	154.8
[M+NH4]+	271.108863	169.0
[M+K]+	292.038198	157.0
[M+H-H2O]+	236.072300	145.7
[M+HCOO]-	298.073241	169.8
[M+CH3COO]-	312.088891	188.2
[M+Na-2H]-	274.049706	151.9
[M]+	253.07449142	149.3
[M]-	253.07558858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe