CID 3024919

Sr 41882

Structural Information

Molecular Formula

C₁₂H₁₄FNO

SMILES

CC1CC(NC1=O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C12H14FNO/c1-8-6-11(14-12(8)15)7-9-2-4-10(13)5-3-9/h2-5,8,11H,6-7H2,1H3,(H,14,15)

InChIKey

SJGPJZBAWVAGLX-UHFFFAOYSA-N

Compound name

5-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 207.10594 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.11322	144.6
[M+Na]+	230.09516	152.7
[M-H]-	206.09866	147.5
[M+NH4]+	225.13976	163.6
[M+K]+	246.06910	148.3
[M+H-H2O]+	190.10320	137.1
[M+HCOO]-	252.10414	164.2
[M+CH3COO]-	266.11979	183.9
[M+Na-2H]-	228.08061	146.1
[M]+	207.10539	140.4
[M]-	207.10649	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe