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 154.2
[M+Na]+ 274.08498 161.6
[M-H]- 250.08848 157.0
[M+NH4]+ 269.12958 171.0
[M+K]+ 290.05892 158.0
[M+H-H2O]+ 234.09302 146.4
[M+HCOO]- 296.09396 173.0
[M+CH3COO]- 310.10961 191.2
[M+Na-2H]- 272.07043 154.1
[M]+ 251.09521 151.9
[M]- 251.09631 151.9
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.