CID 3015670

(2,5-dioxooxolan-3-yl)azanium;chloride

Structural Information

Molecular Formula

SMILES

C1C(C(=O)OC1=O)N

InChI

InChI=1S/C4H5NO3/c5-2-1-3(6)8-4(2)7/h2H,1,5H2

InChIKey

GWKOSRIHVSBBIA-UHFFFAOYSA-N

Compound name

3-aminooxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 115.02694 Da
Monoisotopic Mass: -1.3
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]+	116.034216	117.0
[M+Na]+	138.016158	125.8
[M-H]-	114.019664	121.3
[M+NH4]+	133.060763	139.7
[M+K]+	153.990098	126.4
[M+H-H2O]+	98.024200	112.5
[M+HCOO]-	160.025141	141.4
[M+CH3COO]-	174.040791	167.7
[M+Na-2H]-	136.001606	122.7
[M]+	115.02639142	115.3
[M]-	115.02748858	115.3

Literature stripe

literature stripe

Patent stripe

patents stripe