CID 146050081

Rac-ethyl (3r,4r)-3-fluoro-4-(pyridin-3-yl)pyrrolidine-3-carboxylate

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 152.4
[M+Na]+ 261.10098 159.3
[M-H]- 237.10448 153.6
[M+NH4]+ 256.14558 170.1
[M+K]+ 277.07492 156.1
[M+H-H2O]+ 221.10902 144.0
[M+HCOO]- 283.10996 169.9
[M+CH3COO]- 297.12561 186.1
[M+Na-2H]- 259.08643 155.2
[M]+ 238.11121 149.0
[M]- 238.11231 149.0
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.