CID 49300

Barbituric acid, 5-isopentyl-5-methyl-

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CC(C)CCC1(C(=O)NC(=O)NC1=O)C
InChI
InChI=1S/C10H16N2O3/c1-6(2)4-5-10(3)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKey
RGFAQSMJEZWLDS-UHFFFAOYSA-N
Compound name
5-methyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.11609 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 149.5
[M+Na]+ 235.10531 158.5
[M+NH4]+ 230.14991 155.7
[M+K]+ 251.07925 152.9
[M-H]- 211.10881 147.1
[M+Na-2H]- 233.09076 151.9
[M]+ 212.11554 149.7
[M]- 212.11664 149.7
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.