CID 10986943

3541-31-9

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

C=CC(=O)OCCN1CCCC1=O

InChI

InChI=1S/C9H13NO3/c1-2-9(12)13-7-6-10-5-3-4-8(10)11/h2H,1,3-7H2

InChIKey

GCRIIVPDNWHODP-UHFFFAOYSA-N

Compound name

2-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 322
Patents: 183.08954 Da
Monoisotopic Mass: 0.3
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]+	184.096816	139.8
[M+Na]+	206.078758	146.5
[M-H]-	182.082264	141.5
[M+NH4]+	201.123363	159.9
[M+K]+	222.052698	145.4
[M+H-H2O]+	166.086800	133.6
[M+HCOO]-	228.087741	161.1
[M+CH3COO]-	242.103391	179.5
[M+Na-2H]-	204.064206	141.8
[M]+	183.08899142	139.9
[M]-	183.09008858	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe