CID 3024926

Sr 41680

Structural Information

Molecular Formula
C13H16FNO
SMILES
CC1(CC(NC1=O)CC2=CC=CC=C2F)C
InChI
InChI=1S/C13H16FNO/c1-13(2)8-10(15-12(13)16)7-9-5-3-4-6-11(9)14/h3-6,10H,7-8H2,1-2H3,(H,15,16)
InChIKey
JPHKQXPGBKEAQQ-UHFFFAOYSA-N
Compound name
5-[(2-fluorophenyl)methyl]-3,3-dimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1216 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12888 151.9
[M+Na]+ 244.11082 163.2
[M+NH4]+ 239.15542 160.8
[M+K]+ 260.08476 156.3
[M-H]- 220.11432 153.1
[M+Na-2H]- 242.09627 158.5
[M]+ 221.12105 153.8
[M]- 221.12215 153.8
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.