CID 3159590

842971-84-0

Structural Information

Molecular Formula
C13H14FNO3
SMILES
C1C(CN(C1=O)CCC2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C13H14FNO3/c14-11-3-1-9(2-4-11)5-6-15-8-10(13(17)18)7-12(15)16/h1-4,10H,5-8H2,(H,17,18)
InChIKey
JEJKVDIMYSYXMU-UHFFFAOYSA-N
Compound name
1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

251.09576 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10304 158.2
[M+Na]+ 274.08498 168.0
[M+NH4]+ 269.12958 164.1
[M+K]+ 290.05892 164.5
[M-H]- 250.08848 157.9
[M+Na-2H]- 272.07043 161.7
[M]+ 251.09521 159.0
[M]- 251.09631 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.