CID 3042750

Brn 0647417

Structural Information

Molecular Formula

C₈H₁₀N₂O₂S

SMILES

C1CCC2(C1)C(=O)NC(=S)NC2=O

InChI

InChI=1S/C8H10N2O2S/c11-5-8(3-1-2-4-8)6(12)10-7(13)9-5/h1-4H2,(H2,9,10,11,12,13)

InChIKey

GONYXMSQVITWLH-UHFFFAOYSA-N

Compound name

8-sulfanylidene-7,9-diazaspiro[4.5]decane-6,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.0463 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]+	199.05358	142.4
[M+Na]+	221.03552	150.2
[M-H]-	197.03902	142.5
[M+NH4]+	216.08012	162.3
[M+K]+	237.00946	145.6
[M+H-H2O]+	181.04356	137.3
[M+HCOO]-	243.04450	152.7
[M+CH3COO]-	257.06015	173.6
[M+Na-2H]-	219.02097	142.7
[M]+	198.04575	135.7
[M]-	198.04685	135.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.