CID 6434939

66968-86-3

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CC/C=C(\C)/C1(C(=O)NC(=O)N(C1=O)C)CC
InChI
InChI=1S/C12H18N2O3/c1-5-7-8(3)12(6-2)9(15)13-11(17)14(4)10(12)16/h7H,5-6H2,1-4H3,(H,13,15,17)/b8-7+
InChIKey
PBHZKIJINNSODF-BQYQJAHWSA-N
Compound name
5-ethyl-1-methyl-5-[(E)-pent-2-en-2-yl]-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

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.139016 152.1
[M+Na]+ 261.120958 160.3
[M-H]- 237.124464 151.7
[M+NH4]+ 256.165563 169.0
[M+K]+ 277.094898 157.3
[M+H-H2O]+ 221.129000 146.6
[M+HCOO]- 283.129941 167.7
[M+CH3COO]- 297.145591 191.6
[M+Na-2H]- 259.106406 153.0
[M]+ 238.13119142 150.8
[M]- 238.13228858 150.8
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.