CID 3042461

Brn 3967587

Structural Information

Molecular Formula

C₁₂H₁₂FNO₃

SMILES

C1CC(=O)N([C@@H]1C(=O)O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C12H12FNO3/c13-9-3-1-8(2-4-9)7-14-10(12(16)17)5-6-11(14)15/h1-4,10H,5-7H2,(H,16,17)/t10-/m0/s1

InChIKey

HVGUBDIPIWRNTI-JTQLQIEISA-N

Compound name

(2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 21
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	149.6
[M+Na]+	260.069338	157.4
[M-H]-	236.072844	152.6
[M+NH4]+	255.113943	167.0
[M+K]+	276.043278	154.1
[M+H-H2O]+	220.077380	142.0
[M+HCOO]-	282.078321	168.7
[M+CH3COO]-	296.093971	188.1
[M+Na-2H]-	258.054786	150.0
[M]+	237.07957142	146.9
[M]-	237.08066858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe