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 151.3
[M+Na]+ 263.08247 160.3
[M-H]- 239.08597 151.9
[M+NH4]+ 258.12707 172.1
[M+K]+ 279.05641 155.4
[M+H-H2O]+ 223.09051 147.4
[M+HCOO]- 285.09145 160.5
[M+CH3COO]- 299.10710 184.8
[M+Na-2H]- 261.06792 150.9
[M]+ 240.09270 147.0
[M]- 240.09380 147.0
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.