CID 3051644

67596-38-7

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₂

SMILES

CC(CC1=CC=CC=C1)NC(=O)C2CCC(=O)N2

InChI

InChI=1S/C14H18N2O2/c1-10(9-11-5-3-2-4-6-11)15-14(18)12-7-8-13(17)16-12/h2-6,10,12H,7-9H2,1H3,(H,15,18)(H,16,17)

InChIKey

MDBCANRHEWWVAL-UHFFFAOYSA-N

Compound name

5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 246.13683 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]+	247.144106	158.1
[M+Na]+	269.126048	162.1
[M-H]-	245.129554	161.4
[M+NH4]+	264.170653	174.2
[M+K]+	285.099988	158.6
[M+H-H2O]+	229.134090	150.3
[M+HCOO]-	291.135031	177.4
[M+CH3COO]-	305.150681	192.2
[M+Na-2H]-	267.111496	158.5
[M]+	246.13628142	153.5
[M]-	246.13737858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe