CID 307855

85430-60-0

Structural Information

Molecular Formula

C₃H₄N₂O₄

SMILES

C1COC(=O)N1[N+](=O)[O-]

InChI

InChI=1S/C3H4N2O4/c6-3-4(5(7)8)1-2-9-3/h1-2H2

InChIKey

UWELLLFVLRHRPF-UHFFFAOYSA-N

Compound name

3-nitro-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 132.0171 Da
Monoisotopic Mass: 0.1
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]+	133.02438	120.4
[M+Na]+	155.00632	128.1
[M-H]-	131.00982	123.6
[M+NH4]+	150.05092	140.4
[M+K]+	170.98026	125.6
[M+H-H2O]+	115.01436	119.5
[M+HCOO]-	177.01530	144.3
[M+CH3COO]-	191.03095	162.1
[M+Na-2H]-	152.99177	129.2
[M]+	132.01655	118.2
[M]-	132.01765	118.2

Literature stripe

literature stripe

Patent stripe

patents stripe