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 147.9
[M+Na]+ 247.05117 155.5
[M-H]- 223.05467 147.8
[M+NH4]+ 242.09577 165.0
[M+K]+ 263.02511 150.1
[M+H-H2O]+ 207.05921 142.0
[M+HCOO]- 269.06015 156.5
[M+CH3COO]- 283.07580 180.9
[M+Na-2H]- 245.03662 149.2
[M]+ 224.06140 141.3
[M]- 224.06250 141.3
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.