CID 3024920

Sr 41293

Structural Information

Molecular Formula

C₁₃H₁₆FNO

SMILES

CC1(CC(NC1=O)CC2=CC=C(C=C2)F)C

InChI

InChI=1S/C13H16FNO/c1-13(2)8-11(15-12(13)16)7-9-3-5-10(14)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,15,16)

InChIKey

LCCFHKXRTCVOCD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 221.1216 Da
Monoisotopic Mass: 2.7
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]+	222.12888	148.0
[M+Na]+	244.11082	156.7
[M-H]-	220.11432	151.2
[M+NH4]+	239.15542	168.5
[M+K]+	260.08476	152.3
[M+H-H2O]+	204.11886	141.1
[M+HCOO]-	266.11980	167.3
[M+CH3COO]-	280.13545	186.4
[M+Na-2H]-	242.09627	150.2
[M]+	221.12105	144.5
[M]-	221.12215	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe