CID 2764025

17201-66-0

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1CC(=O)N(C1)CC2CO2

InChI

InChI=1S/C7H11NO2/c9-7-2-1-3-8(7)4-6-5-10-6/h6H,1-5H2

InChIKey

ZNCCGGMWVUBVBO-UHFFFAOYSA-N

Compound name

1-(oxiran-2-ylmethyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 238
Patents: 141.07898 Da
Monoisotopic Mass: -0.5
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]+	142.086256	130.6
[M+Na]+	164.068198	140.0
[M-H]-	140.071704	137.3
[M+NH4]+	159.112803	146.4
[M+K]+	180.042138	139.2
[M+H-H2O]+	124.076240	124.0
[M+HCOO]-	186.077181	152.1
[M+CH3COO]-	200.092831	175.2
[M+Na-2H]-	162.053646	135.9
[M]+	141.07843142	132.4
[M]-	141.07952858	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe