CID 167720438

Rac-(3r,4r)-4-(4-fluorophenyl)-3-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C11H12FNO
SMILES
C[C@@H]1[C@@H](CNC1=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H12FNO/c1-7-10(6-13-11(7)14)8-2-4-9(12)5-3-8/h2-5,7,10H,6H2,1H3,(H,13,14)/t7-,10-/m1/s1
InChIKey
SWBIFAFSOYNKLZ-GMSGAONNSA-N
Compound name
(3R,4R)-4-(4-fluorophenyl)-3-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09029 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09757 143.7
[M+Na]+ 216.07951 155.3
[M+NH4]+ 211.12411 151.5
[M+K]+ 232.05345 150.4
[M-H]- 192.08301 145.0
[M+Na-2H]- 214.06496 149.2
[M]+ 193.08974 145.5
[M]- 193.09084 145.5
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.