CID 4381935

18342-66-0

Structural Information

Molecular Formula

C₆H₈N₂O₄

SMILES

CNC(=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C6H8N2O4/c1-7-6(11)12-8-4(9)2-3-5(8)10/h2-3H2,1H3,(H,7,11)

InChIKey

XMNGSPOWUCNRMO-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 524
Patents: 172.0484 Da
Monoisotopic Mass: -0.9
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]+	173.05568	135.0
[M+Na]+	195.03762	142.8
[M+NH4]+	190.08222	140.6
[M+K]+	211.01156	141.8
[M-H]-	171.04112	133.6
[M+Na-2H]-	193.02307	136.9
[M]+	172.04785	135.0
[M]-	172.04895	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe