CID 89828704

Rac-(3r,4r)-3-ethyl-4-fluoropyrrolidine hydrochloride

Structural Information

Molecular Formula
C6H12FN
SMILES
CC[C@@H]1CNC[C@@H]1F
InChI
InChI=1S/C6H12FN/c1-2-5-3-8-4-6(5)7/h5-6,8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKey
JPLZKJOOUSWLAZ-RITPCOANSA-N
Compound name
(3R,4R)-3-ethyl-4-fluoropyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

117.095375 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.102651 123.7
[M+Na]+ 140.084593 130.7
[M-H]- 116.088099 122.9
[M+NH4]+ 135.129198 146.1
[M+K]+ 156.058533 129.0
[M+H-H2O]+ 100.092635 117.4
[M+HCOO]- 162.093576 143.1
[M+CH3COO]- 176.109226 167.0
[M+Na-2H]- 138.070041 127.3
[M]+ 117.09482642 118.1
[M]- 117.09592358 118.1
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