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]+ 194.097566 140.0
[M+Na]+ 216.079508 148.5
[M-H]- 192.083014 143.1
[M+NH4]+ 211.124113 159.6
[M+K]+ 232.053448 144.4
[M+H-H2O]+ 176.087550 132.7
[M+HCOO]- 238.088491 159.9
[M+CH3COO]- 252.104141 180.9
[M+Na-2H]- 214.064956 142.0
[M]+ 193.08974142 135.4
[M]- 193.09083858 135.4
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.