CID 3032275

52-45-9

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
C1CCC2(CC1)C(=O)NC(=S)NC2=O
InChI
InChI=1S/C9H12N2O2S/c12-6-9(4-2-1-3-5-9)7(13)11-8(14)10-6/h1-5H2,(H2,10,11,12,13,14)
InChIKey
XIOUPQUYEUYPAW-UHFFFAOYSA-N
Compound name
3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06195 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.069226 145.8
[M+Na]+ 235.051168 151.9
[M-H]- 211.054674 145.1
[M+NH4]+ 230.095773 163.0
[M+K]+ 251.025108 147.0
[M+H-H2O]+ 195.059210 139.8
[M+HCOO]- 257.060151 153.4
[M+CH3COO]- 271.075801 177.1
[M+Na-2H]- 233.036616 147.3
[M]+ 212.06140142 137.0
[M]- 212.06249858 137.0
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.