CID 65926

Nebracetam

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

C1C(CN(C1=O)CC2=CC=CC=C2)CN

InChI

InChI=1S/C12H16N2O/c13-7-11-6-12(15)14(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2

InChIKey

LCAFGJGYCUMTGS-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-1-benzylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 27
References: 1261
Patents: 204.12627 Da
Monoisotopic Mass: 0.2
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]+	205.13355	145.9
[M+Na]+	227.11549	152.5
[M-H]-	203.11899	150.6
[M+NH4]+	222.16009	164.8
[M+K]+	243.08943	149.0
[M+H-H2O]+	187.12353	138.4
[M+HCOO]-	249.12447	168.4
[M+CH3COO]-	263.14012	186.8
[M+Na-2H]-	225.10094	148.5
[M]+	204.12572	142.5
[M]-	204.12682	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe