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	146.7
[M+Na]+	239.05578	154.5
[M-H]-	215.05928	147.7
[M+NH4]+	234.10038	166.7
[M+K]+	255.02972	149.9
[M+H-H2O]+	199.06382	140.6
[M+HCOO]-	261.06476	158.2
[M+CH3COO]-	275.08041	179.9
[M+Na-2H]-	237.04123	149.0
[M]+	216.06601	141.8
[M]-	216.06711	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe