CID 71122589

1822518-66-0

Structural Information

Molecular Formula

C₉H₁₄N₂O₄

SMILES

CC(C)(C)OC(=O)NC1CC(=O)NC1=O

InChI

InChI=1S/C9H14N2O4/c1-9(2,3)15-8(14)10-5-4-6(12)11-7(5)13/h5H,4H2,1-3H3,(H,10,14)(H,11,12,13)

InChIKey

ADNLCKRUARJETQ-UHFFFAOYSA-N

Compound name

tert-butyl N-(2,5-dioxopyrrolidin-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 214.09535 Da
Monoisotopic Mass: -0.2
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]+	215.10263	146.5
[M+Na]+	237.08457	153.1
[M-H]-	213.08807	147.5
[M+NH4]+	232.12917	164.8
[M+K]+	253.05851	152.1
[M+H-H2O]+	197.09261	141.1
[M+HCOO]-	259.09355	165.9
[M+CH3COO]-	273.10920	184.3
[M+Na-2H]-	235.07002	148.9
[M]+	214.09480	145.1
[M]-	214.09590	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe