CID 146036956

Chebi:150864

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

CC1(C(NC(=O)C1=N)CC2=CC=C(C=C2)O)C

InChI

InChI=1S/C13H16N2O2/c1-13(2)10(15-12(17)11(13)14)7-8-3-5-9(16)6-4-8/h3-6,10,14,16H,7H2,1-2H3,(H,15,17)

InChIKey

RMXPIGPTRDTXGT-UHFFFAOYSA-N

Compound name

5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 232.12119 Da
Monoisotopic Mass: 1.8
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]+	233.128466	151.4
[M+Na]+	255.110408	159.8
[M-H]-	231.113914	154.9
[M+NH4]+	250.155013	170.6
[M+K]+	271.084348	154.9
[M+H-H2O]+	215.118450	145.7
[M+HCOO]-	277.119391	171.6
[M+CH3COO]-	291.135041	188.9
[M+Na-2H]-	253.095856	153.7
[M]+	232.12064142	147.6
[M]-	232.12173858	147.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.