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]+ 213.06923 145.8
[M+Na]+ 235.05117 151.9
[M-H]- 211.05467 145.1
[M+NH4]+ 230.09577 163.0
[M+K]+ 251.02511 147.0
[M+H-H2O]+ 195.05921 139.8
[M+HCOO]- 257.06015 153.4
[M+CH3COO]- 271.07580 177.1
[M+Na-2H]- 233.03662 147.3
[M]+ 212.06140 137.0
[M]- 212.06250 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.