CID 3050917

Brn 0202076

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
CCC1CCCCC12C(=O)NC(=S)NC2=O
InChI
InChI=1S/C11H16N2O2S/c1-2-7-5-3-4-6-11(7)8(14)12-10(16)13-9(11)15/h7H,2-6H2,1H3,(H2,12,13,14,15,16)
InChIKey
ZKVXIPHHEZKDQR-UHFFFAOYSA-N
Compound name
11-ethyl-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

240.09325 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10053 153.7
[M+Na]+ 263.08247 159.7
[M-H]- 239.08597 153.0
[M+NH4]+ 258.12707 170.0
[M+K]+ 279.05641 154.4
[M+H-H2O]+ 223.09051 147.7
[M+HCOO]- 285.09145 160.5
[M+CH3COO]- 299.10710 184.4
[M+Na-2H]- 261.06792 153.6
[M]+ 240.09270 146.0
[M]- 240.09380 146.0
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.