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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 144.2
[M+Na]+ 221.03552 152.6
[M+NH4]+ 216.08012 152.7
[M+K]+ 237.00946 145.9
[M-H]- 197.03902 143.7
[M+Na-2H]- 219.02097 147.2
[M]+ 198.04575 145.4
[M]- 198.04685 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.