CID 3077934

136410-03-2

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₅

SMILES

CCOC1CCC(=O)N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O5/c1-2-20-12-8-7-11(16)14(12)13(17)9-3-5-10(6-4-9)15(18)19/h3-6,12H,2,7-8H2,1H3

InChIKey

VIYNOMFQVLFKHD-UHFFFAOYSA-N

Compound name

5-ethoxy-1-(4-nitrobenzoyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 278.09027 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]+	279.097546	161.0
[M+Na]+	301.079488	166.9
[M-H]-	277.082994	166.6
[M+NH4]+	296.124093	176.3
[M+K]+	317.053428	161.1
[M+H-H2O]+	261.087530	158.1
[M+HCOO]-	323.088471	183.3
[M+CH3COO]-	337.104121	191.5
[M+Na-2H]-	299.064936	163.9
[M]+	278.08972142	160.0
[M]-	278.09081858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe