CID 146050081

2413846-35-0

Structural Information

Molecular Formula
C12H15FN2O2
SMILES
CCOC(=O)[C@]1(CNC[C@@H]1C2=CN=CC=C2)F
InChI
InChI=1S/C12H15FN2O2/c1-2-17-11(16)12(13)8-15-7-10(12)9-4-3-5-14-6-9/h3-6,10,15H,2,7-8H2,1H3/t10-,12-/m1/s1
InChIKey
XKKFMMPMZPEZRU-ZYHUDNBSSA-N
Compound name
ethyl (3S,4S)-3-fluoro-4-pyridin-3-ylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11176 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11904 154.8
[M+Na]+ 261.10098 164.5
[M+NH4]+ 256.14558 162.4
[M+K]+ 277.07492 159.1
[M-H]- 237.10448 154.4
[M+Na-2H]- 259.08643 160.8
[M]+ 238.11121 155.8
[M]- 238.11231 155.8
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.