CID 45081509

68471-52-3

Structural Information

Molecular Formula

C₅H₅ClN₂O₃

SMILES

CN1C(=O)CN(C1=O)C(=O)Cl

InChI

InChI=1S/C5H5ClN2O3/c1-7-3(9)2-8(4(6)10)5(7)11/h2H2,1H3

InChIKey

VBYVDRYZQYETQS-UHFFFAOYSA-N

Compound name

3-methyl-2,4-dioxoimidazolidine-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.99887 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]+	177.00615	131.9
[M+Na]+	198.98809	142.5
[M+NH4]+	194.03269	138.2
[M+K]+	214.96203	140.4
[M-H]-	174.99159	130.0
[M+Na-2H]-	196.97354	134.3
[M]+	175.99832	132.6
[M]-	175.99942	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.