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

19
Patents

103.07973 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.087006 119.1
[M+Na]+ 126.068948 126.5
[M-H]- 102.072454 118.5
[M+NH4]+ 121.113553 142.0
[M+K]+ 142.042888 125.1
[M+H-H2O]+ 86.076990 113.0
[M+HCOO]- 148.077931 138.8
[M+CH3COO]- 162.093581 163.9
[M+Na-2H]- 124.054396 123.2
[M]+ 103.07918142 113.1
[M]- 103.08027858 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