CID 3035083

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

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
CC1CCC(C12C(=O)NC(=S)NC2=O)(C)C
InChI
InChI=1S/C11H16N2O2S/c1-6-4-5-10(2,3)11(6)7(14)12-9(16)13-8(11)15/h6H,4-5H2,1-3H3,(H2,12,13,14,15,16)
InChIKey
JNZLFZBEFFMIOM-UHFFFAOYSA-N
Compound name
1,4,4-trimethyl-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

240.09325 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10053 155.8
[M+Na]+ 263.08247 164.3
[M+NH4]+ 258.12707 165.1
[M+K]+ 279.05641 155.8
[M-H]- 239.08597 155.2
[M+Na-2H]- 261.06792 159.5
[M]+ 240.09270 157.2
[M]- 240.09380 157.2
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.