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 153.0
[M+Na]+ 257.08967 160.2
[M-H]- 233.09317 154.1
[M+NH4]+ 252.13427 170.3
[M+K]+ 273.06361 155.3
[M+H-H2O]+ 217.09771 146.5
[M+HCOO]- 279.09865 168.7
[M+CH3COO]- 293.11430 183.0
[M+Na-2H]- 255.07512 153.8
[M]+ 234.09990 146.7
[M]- 234.10100 146.7
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.