CID 67441734

Rac-(3r,4r)-3-fluoro-4-methylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C5H10FN
SMILES
C[C@@H]1CNC[C@@H]1F
InChI
InChI=1S/C5H10FN/c1-4-2-7-3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5+/m1/s1
InChIKey
HPCFSOFBKLAFII-UHNVWZDZSA-N
Compound name
(3R,4R)-3-fluoro-4-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

103.07973 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.08701 119.1
[M+Na]+ 126.06895 126.5
[M-H]- 102.07245 118.5
[M+NH4]+ 121.11355 142.0
[M+K]+ 142.04289 125.1
[M+H-H2O]+ 86.076990 113.0
[M+HCOO]- 148.07793 138.8
[M+CH3COO]- 162.09358 163.9
[M+Na-2H]- 124.05440 123.2
[M]+ 103.07918 113.1
[M]- 103.08028 113.1
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