CID 5381863

67050-94-6

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CCCC1(C(=O)NC(=O)NC1=O)/C(=C/C)/CC
InChI
InChI=1S/C12H18N2O3/c1-4-7-12(8(5-2)6-3)9(15)13-11(17)14-10(12)16/h5H,4,6-7H2,1-3H3,(H2,13,14,15,16,17)/b8-5+
InChIKey
LGOJCVCDIIYTHY-VMPITWQZSA-N
Compound name
5-[(E)-pent-2-en-3-yl]-5-propyl-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

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.139016 154.6
[M+Na]+ 261.120958 161.4
[M-H]- 237.124464 152.4
[M+NH4]+ 256.165563 170.5
[M+K]+ 277.094898 157.5
[M+H-H2O]+ 221.129000 149.0
[M+HCOO]- 283.129941 168.6
[M+CH3COO]- 297.145591 187.9
[M+Na-2H]- 259.106406 155.5
[M]+ 238.13119142 151.0
[M]- 238.13228858 151.0
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.