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]+ 148.076826 129.0
[M+Na]+ 170.058768 136.1
[M-H]- 146.062274 128.4
[M+NH4]+ 165.103373 150.0
[M+K]+ 186.032708 135.1
[M+H-H2O]+ 130.066810 122.6
[M+HCOO]- 192.067751 148.1
[M+CH3COO]- 206.083401 170.2
[M+Na-2H]- 168.044216 131.4
[M]+ 147.06900142 124.9
[M]- 147.07009858 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.