CID 6434933

Brn 0233616

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C/C=C/C1(C(=O)NC(=O)NC1=O)C2CCC=C2
InChI
InChI=1S/C12H14N2O3/c1-2-7-12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h2-3,5,7-8H,4,6H2,1H3,(H2,13,14,15,16,17)/b7-2+
InChIKey
WTWZHYLAPCTVTF-FARCUNLSSA-N
Compound name
5-cyclopent-2-en-1-yl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 155.3
[M+Na]+ 257.08967 164.3
[M+NH4]+ 252.13427 161.9
[M+K]+ 273.06361 159.4
[M-H]- 233.09317 154.6
[M+Na-2H]- 255.07512 158.9
[M]+ 234.09990 155.9
[M]- 234.10100 155.9
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.