CID 44890907

886363-93-5

Structural Information

Molecular Formula
C13H17FN2O2
SMILES
C1CN(CC1C(=O)O)C(CN)C2=CC(=CC=C2)F
InChI
InChI=1S/C13H17FN2O2/c14-11-3-1-2-9(6-11)12(7-15)16-5-4-10(8-16)13(17)18/h1-3,6,10,12H,4-5,7-8,15H2,(H,17,18)
InChIKey
HUHSLLFICFTBSZ-UHFFFAOYSA-N
Compound name
1-[2-amino-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12741 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13469 158.5
[M+Na]+ 275.11663 166.4
[M+NH4]+ 270.16123 164.4
[M+K]+ 291.09057 163.9
[M-H]- 251.12013 158.7
[M+Na-2H]- 273.10208 161.8
[M]+ 252.12686 159.1
[M]- 252.12796 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.