CID 120427

880-47-7

Structural Information

Molecular Formula

C₉H₁₃ClN₂O₂

SMILES

C1CCC2(CC1)C(=O)N(C(=O)N2)CCl

InChI

InChI=1S/C9H13ClN2O2/c10-6-12-7(13)9(11-8(12)14)4-2-1-3-5-9/h1-6H2,(H,11,14)

InChIKey

JYBXNWSEFLHIRZ-UHFFFAOYSA-N

Compound name

3-(chloromethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 216.06656 Da
Monoisotopic Mass: 1.4
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]+	217.07384	145.9
[M+Na]+	239.05578	156.0
[M+NH4]+	234.10038	154.8
[M+K]+	255.02972	150.1
[M-H]-	215.05928	146.0
[M+Na-2H]-	237.04123	150.2
[M]+	216.06601	147.4
[M]-	216.06711	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe