CID 3033346

66940-60-1

Structural Information

Molecular Formula
C11H14N2O2S
SMILES
CCC1(C(=O)NC(=S)NC1=O)C2CCC=C2
InChI
InChI=1S/C11H14N2O2S/c1-2-11(7-5-3-4-6-7)8(14)12-10(16)13-9(11)15/h3,5,7H,2,4,6H2,1H3,(H2,12,13,14,15,16)
InChIKey
DFNNNQDHKIOOAT-UHFFFAOYSA-N
Compound name
5-cyclopent-2-en-1-yl-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0776 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08488 153.2
[M+Na]+ 261.06682 160.8
[M-H]- 237.07032 154.4
[M+NH4]+ 256.11142 171.2
[M+K]+ 277.04076 155.5
[M+H-H2O]+ 221.07486 147.5
[M+HCOO]- 283.07580 163.9
[M+CH3COO]- 297.09145 183.1
[M+Na-2H]- 259.05227 151.8
[M]+ 238.07705 148.5
[M]- 238.07815 148.5
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.