CID 3050922

Brn 0202082

Structural Information

Molecular Formula
C11H14N2O2S
SMILES
CCC1CC=CCC12C(=O)NC(=S)NC2=O
InChI
InChI=1S/C11H14N2O2S/c1-2-7-5-3-4-6-11(7)8(14)12-10(16)13-9(11)15/h3-4,7H,2,5-6H2,1H3,(H2,12,13,14,15,16)
InChIKey
JQNIUHAAUMLZDO-UHFFFAOYSA-N
Compound name
11-ethyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0776 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.084876 152.0
[M+Na]+ 261.066818 159.1
[M-H]- 237.070324 151.8
[M+NH4]+ 256.111423 168.5
[M+K]+ 277.040758 153.5
[M+H-H2O]+ 221.074860 146.0
[M+HCOO]- 283.075801 160.3
[M+CH3COO]- 297.091451 183.9
[M+Na-2H]- 259.052266 152.9
[M]+ 238.07705142 145.7
[M]- 238.07814858 145.7
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.