CID 3024939

Sr 42001

Structural Information

Molecular Formula

C₁₄H₁₈FNO

SMILES

CCC1(CC(NC1=O)CC2=CC=CC=C2F)C

InChI

InChI=1S/C14H18FNO/c1-3-14(2)9-11(16-13(14)17)8-10-6-4-5-7-12(10)15/h4-7,11H,3,8-9H2,1-2H3,(H,16,17)

InChIKey

NCELJWJKTASLQV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 235.13724 Da
Monoisotopic Mass: 3.0
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]+	236.144516	152.6
[M+Na]+	258.126458	160.8
[M-H]-	234.129964	155.5
[M+NH4]+	253.171063	172.5
[M+K]+	274.100398	156.1
[M+H-H2O]+	218.134500	145.5
[M+HCOO]-	280.135441	171.5
[M+CH3COO]-	294.151091	189.4
[M+Na-2H]-	256.111906	154.2
[M]+	235.13669142	149.4
[M]-	235.13778858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe