CID 3034590

67196-41-2

Structural Information

Molecular Formula
C10H12N2O2S
SMILES
CC1CC=CCC12C(=O)NC(=S)NC2=O
InChI
InChI=1S/C10H12N2O2S/c1-6-4-2-3-5-10(6)7(13)11-9(15)12-8(10)14/h2-3,6H,4-5H2,1H3,(H2,11,12,13,14,15)
InChIKey
NUIUTZSHXPDKMY-UHFFFAOYSA-N
Compound name
11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

224.06195 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06923 149.9
[M+Na]+ 247.05117 160.3
[M+NH4]+ 242.09577 158.4
[M+K]+ 263.02511 151.1
[M-H]- 223.05467 150.3
[M+Na-2H]- 245.03662 154.3
[M]+ 224.06140 151.8
[M]- 224.06250 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.