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]+ 227.08488 149.6
[M+Na]+ 249.06682 156.1
[M-H]- 225.07032 149.1
[M+NH4]+ 244.11142 166.5
[M+K]+ 265.04076 151.0
[M+H-H2O]+ 209.07486 143.7
[M+HCOO]- 271.07580 156.8
[M+CH3COO]- 285.09145 181.4
[M+Na-2H]- 247.05227 150.0
[M]+ 226.07705 141.6
[M]- 226.07815 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.