CID 56828972

1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula

C₁₂H₁₂FNO₃

SMILES

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)O)F

InChI

InChI=1S/C12H12FNO3/c1-7-4-9(2-3-10(7)13)14-6-8(12(16)17)5-11(14)15/h2-4,8H,5-6H2,1H3,(H,16,17)

InChIKey

UTSIKWMYNNYFSX-UHFFFAOYSA-N

Compound name

1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 237.08012 Da
Monoisotopic Mass: 1.0
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]+	238.087396	149.0
[M+Na]+	260.069338	157.8
[M-H]-	236.072844	152.4
[M+NH4]+	255.113943	166.8
[M+K]+	276.043278	154.5
[M+H-H2O]+	220.077380	141.8
[M+HCOO]-	282.078321	168.1
[M+CH3COO]-	296.093971	189.4
[M+Na-2H]-	258.054786	148.8
[M]+	237.07957142	146.8
[M]-	237.08066858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe