CID 45082398

Ethyl (2s,4s)-4-fluoropyrrolidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H12FNO2
SMILES
CCOC(=O)[C@@H]1C[C@@H](CN1)F
InChI
InChI=1S/C7H12FNO2/c1-2-11-7(10)6-3-5(8)4-9-6/h5-6,9H,2-4H2,1H3/t5-,6-/m0/s1
InChIKey
YRDIYVDGPRPFPX-WDSKDSINSA-N
Compound name
ethyl (2S,4S)-4-fluoropyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

161.0852 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09248 135.9
[M+Na]+ 184.07442 143.7
[M+NH4]+ 179.11902 142.4
[M+K]+ 200.04836 141.2
[M-H]- 160.07792 133.6
[M+Na-2H]- 182.05987 137.8
[M]+ 161.08465 135.8
[M]- 161.08575 135.8
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

patents stripe