CID 3034590

67196-41-2

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂S

SMILES

CC1CC=CCC12C(=O)NC(=S)NC2=O

InChI

InChI=1S/C10H12N2O2S/c1-6-4-2-3-5-10(6)7(13)11-9(15)12-8(10)14/h2-3,6H,4-5H2,1H3,(H2,11,12,13,14,15)

InChIKey

NUIUTZSHXPDKMY-UHFFFAOYSA-N

Compound name

11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 224.06195 Da
Monoisotopic Mass: 1.2
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]+	225.069226	147.9
[M+Na]+	247.051168	155.5
[M-H]-	223.054674	147.8
[M+NH4]+	242.095773	165.0
[M+K]+	263.025108	150.1
[M+H-H2O]+	207.059210	142.0
[M+HCOO]-	269.060151	156.5
[M+CH3COO]-	283.075801	180.9
[M+Na-2H]-	245.036616	149.2
[M]+	224.06140142	141.3
[M]-	224.06249858	141.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.