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]+ 118.10265 123.7
[M+Na]+ 140.08459 130.7
[M-H]- 116.08810 122.9
[M+NH4]+ 135.12920 146.1
[M+K]+ 156.05853 129.0
[M+H-H2O]+ 100.09264 117.4
[M+HCOO]- 162.09358 143.1
[M+CH3COO]- 176.10923 167.0
[M+Na-2H]- 138.07004 127.3
[M]+ 117.09483 118.1
[M]- 117.09592 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