CID 5475155

67049-97-2

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CCCCC1(C(=O)NC(=O)NC1=O)C/C=C/C
InChI
InChI=1S/C12H18N2O3/c1-3-5-7-12(8-6-4-2)9(15)13-11(17)14-10(12)16/h3,5H,4,6-8H2,1-2H3,(H2,13,14,15,16,17)/b5-3+
InChIKey
DARREYPXFUYMQI-HWKANZROSA-N
Compound name
5-[(E)-but-2-enyl]-5-butyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 154.8
[M+Na]+ 261.12096 161.9
[M-H]- 237.12446 152.5
[M+NH4]+ 256.16556 170.7
[M+K]+ 277.09490 157.4
[M+H-H2O]+ 221.12900 148.9
[M+HCOO]- 283.12994 169.8
[M+CH3COO]- 297.14559 187.0
[M+Na-2H]- 259.10641 156.9
[M]+ 238.13119 151.8
[M]- 238.13229 151.8
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.