CID 105531370

Rac-methyl (3r,4r)-4-fluoropyrrolidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C6H10FNO2
SMILES
COC(=O)[C@@H]1CNC[C@H]1F
InChI
InChI=1S/C6H10FNO2/c1-10-6(9)4-2-8-3-5(4)7/h4-5,8H,2-3H2,1H3/t4-,5-/m1/s1
InChIKey
FVQULKDAMCWXPF-RFZPGFLSSA-N
Compound name
methyl (3S,4S)-4-fluoropyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.06955 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07683 129.0
[M+Na]+ 170.05877 136.1
[M-H]- 146.06227 128.4
[M+NH4]+ 165.10337 150.0
[M+K]+ 186.03271 135.1
[M+H-H2O]+ 130.06681 122.6
[M+HCOO]- 192.06775 148.1
[M+CH3COO]- 206.08340 170.2
[M+Na-2H]- 168.04422 131.4
[M]+ 147.06900 124.9
[M]- 147.07010 124.9
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.