CID 58150079

1019650-80-6

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CC1=CC(=CC=C1)C2CC(=O)NC2

InChI

InChI=1S/C11H13NO/c1-8-3-2-4-9(5-8)10-6-11(13)12-7-10/h2-5,10H,6-7H2,1H3,(H,12,13)

InChIKey

JDNVNVFAFWJZAZ-UHFFFAOYSA-N

Compound name

4-(3-methylphenyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 175.09972 Da
Monoisotopic Mass: 1.4
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]+	176.10700	139.1
[M+Na]+	198.08894	151.4
[M+NH4]+	193.13354	147.9
[M+K]+	214.06288	146.4
[M-H]-	174.09244	142.0
[M+Na-2H]-	196.07439	145.8
[M]+	175.09917	141.5
[M]-	175.10027	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe