CID 3050923

Brn 0026709

Structural Information

Molecular Formula
C11H14N2O3S
SMILES
CSCC1CC=CCC12C(=O)NC(=O)NC2=O
InChI
InChI=1S/C11H14N2O3S/c1-17-6-7-4-2-3-5-11(7)8(14)12-10(16)13-9(11)15/h2-3,7H,4-6H2,1H3,(H2,12,13,14,15,16)
InChIKey
NUBHFTYBPLEYMQ-UHFFFAOYSA-N
Compound name
11-(methylsulfanylmethyl)-2,4-diazaspiro[5.5]undec-8-ene-1,3,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.07251 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07979 155.0
[M+Na]+ 277.06173 161.9
[M-H]- 253.06523 154.7
[M+NH4]+ 272.10633 170.8
[M+K]+ 293.03567 156.9
[M+H-H2O]+ 237.06977 148.8
[M+HCOO]- 299.07071 163.6
[M+CH3COO]- 313.08636 186.1
[M+Na-2H]- 275.04718 156.2
[M]+ 254.07196 150.2
[M]- 254.07306 150.2
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.