CID 90354

2-pyrrolidinone, 1-(2-methylphenyl)-

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CC1=CC=CC=C1N2CCCC2=O

InChI

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

InChIKey

YZKUWLKFKUUHJP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 175.09972 Da
Monoisotopic Mass: 1.7
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]+	176.106996	136.9
[M+Na]+	198.088938	144.9
[M-H]-	174.092444	142.4
[M+NH4]+	193.133543	157.7
[M+K]+	214.062878	142.2
[M+H-H2O]+	158.096980	130.1
[M+HCOO]-	220.097921	159.4
[M+CH3COO]-	234.113571	179.6
[M+Na-2H]-	196.074386	140.7
[M]+	175.09917142	134.9
[M]-	175.10026858	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe