CID 234831

55134-03-7

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CCC(C)C1(C(=O)N(C(=O)N(C1=O)C)C)CC
InChI
InChI=1S/C12H20N2O3/c1-6-8(3)12(7-2)9(15)13(4)11(17)14(5)10(12)16/h8H,6-7H2,1-5H3
InChIKey
GDYZVNWWINOYGP-UHFFFAOYSA-N
Compound name
5-butan-2-yl-5-ethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.154676 150.6
[M+Na]+ 263.136618 159.9
[M-H]- 239.140124 152.0
[M+NH4]+ 258.181223 168.6
[M+K]+ 279.110558 158.4
[M+H-H2O]+ 223.144660 145.2
[M+HCOO]- 285.145601 167.5
[M+CH3COO]- 299.161251 196.9
[M+Na-2H]- 261.122066 151.6
[M]+ 240.14685142 152.5
[M]- 240.14794858 152.5
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.