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 157.1
[M+Na]+ 275.11663 162.1
[M-H]- 251.12013 159.0
[M+NH4]+ 270.16123 173.0
[M+K]+ 291.09057 158.7
[M+H-H2O]+ 235.12467 148.8
[M+HCOO]- 297.12561 174.9
[M+CH3COO]- 311.14126 194.0
[M+Na-2H]- 273.10208 155.8
[M]+ 252.12686 151.3
[M]- 252.12796 151.3
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.