CID 249324

13691-29-7

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CC1=C(C=CC(=C1)N)N2CCCC2=O

InChI

InChI=1S/C11H14N2O/c1-8-7-9(12)4-5-10(8)13-6-2-3-11(13)14/h4-5,7H,2-3,6,12H2,1H3

InChIKey

QILAIGZHEOJTNQ-UHFFFAOYSA-N

Compound name

1-(4-amino-2-methylphenyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 190.11061 Da
Monoisotopic Mass: 1.0
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]+	191.11789	142.4
[M+Na]+	213.09983	153.9
[M+NH4]+	208.14443	150.8
[M+K]+	229.07377	149.5
[M-H]-	189.10333	145.9
[M+Na-2H]-	211.08528	148.7
[M]+	190.11006	144.8
[M]-	190.11116	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe