CID 54560

80354-48-9

Structural Information

Molecular Formula

C₆H₇N₃O₅

SMILES

CN(C(=O)ON1C(=O)CCC1=O)N=O

InChI

InChI=1S/C6H7N3O5/c1-8(7-13)6(12)14-9-4(10)2-3-5(9)11/h2-3H2,1H3

InChIKey

HOLCTFBQQQICEX-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) N-methyl-N-nitrosocarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 201.03857 Da
Monoisotopic Mass: -1.1
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]+	202.045846	134.9
[M+Na]+	224.027788	142.6
[M-H]-	200.031294	140.4
[M+NH4]+	219.072393	155.0
[M+K]+	240.001728	144.9
[M+H-H2O]+	184.035830	128.1
[M+HCOO]-	246.036771	161.9
[M+CH3COO]-	260.052421	190.5
[M+Na-2H]-	222.013236	138.9
[M]+	201.03802142	138.0
[M]-	201.03911858	138.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.