CID 24190

7548-70-1

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC(C)(C(C)C)O
InChI
InChI=1S/C12H20N2O4/c1-5-12(6-11(4,18)7(2)3)8(15)13-10(17)14-9(12)16/h7,18H,5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKey
FKFQTWRRMFBKDP-UHFFFAOYSA-N
Compound name
5-ethyl-5-(2-hydroxy-2,3-dimethylbutyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.149576 159.2
[M+Na]+ 279.131518 165.5
[M-H]- 255.135024 155.9
[M+NH4]+ 274.176123 173.7
[M+K]+ 295.105458 162.5
[M+H-H2O]+ 239.139560 154.5
[M+HCOO]- 301.140501 170.1
[M+CH3COO]- 315.156151 189.6
[M+Na-2H]- 277.116966 160.8
[M]+ 256.14175142 155.6
[M]- 256.14284858 155.6
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.