CID 3034563

67196-33-2

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CC1CCCCC12C(=O)NC(=S)NC2=O
InChI
InChI=1S/C10H14N2O2S/c1-6-4-2-3-5-10(6)7(13)11-9(15)12-8(10)14/h6H,2-5H2,1H3,(H2,11,12,13,14,15)
InChIKey
KGDCIRWEMPZYQW-UHFFFAOYSA-N
Compound name
11-methyl-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

226.0776 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.084876 149.6
[M+Na]+ 249.066818 156.1
[M-H]- 225.070324 149.1
[M+NH4]+ 244.111423 166.5
[M+K]+ 265.040758 151.0
[M+H-H2O]+ 209.074860 143.7
[M+HCOO]- 271.075801 156.8
[M+CH3COO]- 285.091451 181.4
[M+Na-2H]- 247.052266 150.0
[M]+ 226.07705142 141.6
[M]- 226.07814858 141.6
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.