CID 3035073

Sodium spiro(2,5-dimethylcyclopentane 2'-thiobarbiturate)

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CC1CCC(C12C(=O)NC(=S)NC2=O)C
InChI
InChI=1S/C10H14N2O2S/c1-5-3-4-6(2)10(5)7(13)11-9(15)12-8(10)14/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14,15)
InChIKey
LIEGVLZKZDTEDD-UHFFFAOYSA-N
Compound name
1,4-dimethyl-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

226.0776 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 149.7
[M+Na]+ 249.06682 158.3
[M-H]- 225.07032 150.1
[M+NH4]+ 244.11142 169.0
[M+K]+ 265.04076 153.2
[M+H-H2O]+ 209.07486 145.0
[M+HCOO]- 271.07580 159.1
[M+CH3COO]- 285.09145 182.0
[M+Na-2H]- 247.05227 147.9
[M]+ 226.07705 144.4
[M]- 226.07815 144.4
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.