CID 1133622

1170201-85-0

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CN

InChI

InChI=1S/C11H14N2O/c12-8-9-3-5-10(6-4-9)13-7-1-2-11(13)14/h3-6H,1-2,7-8,12H2

InChIKey

FCNVJAXZFYYOMX-UHFFFAOYSA-N

Compound name

1-[4-(aminomethyl)phenyl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 190.11061 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]+	191.117886	141.3
[M+Na]+	213.099828	148.4
[M-H]-	189.103334	146.2
[M+NH4]+	208.144433	160.8
[M+K]+	229.073768	145.2
[M+H-H2O]+	173.107870	134.0
[M+HCOO]-	235.108811	164.2
[M+CH3COO]-	249.124461	183.8
[M+Na-2H]-	211.085276	144.5
[M]+	190.11006142	137.6
[M]-	190.11115858	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe