CID 133586

81012-92-2

Structural Information

Molecular Formula

C₁₆H₁₃NO₅

SMILES

C1CC(=O)N(C1=O)OC(=O)COC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C16H13NO5/c18-14-7-8-15(19)17(14)22-16(20)10-21-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,7-8,10H2

InChIKey

CUSRGDOKYSVDPX-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 2-naphthalen-2-yloxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 299.07938 Da
Monoisotopic Mass: 2.2
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]+	300.086656	164.6
[M+Na]+	322.068598	172.3
[M-H]-	298.072104	171.0
[M+NH4]+	317.113203	180.8
[M+K]+	338.042538	169.4
[M+H-H2O]+	282.076640	156.7
[M+HCOO]-	344.077581	185.2
[M+CH3COO]-	358.093231	200.6
[M+Na-2H]-	320.054046	167.1
[M]+	299.07883142	167.1
[M]-	299.07992858	167.1

Literature stripe

literature stripe

Patent stripe

patents stripe