CID 20340

1,5-dimethyl-5-isopropylbarbituric acid

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CC(C)C1(C(=O)NC(=O)N(C1=O)C)C
InChI
InChI=1S/C9H14N2O3/c1-5(2)9(3)6(12)10-8(14)11(4)7(9)13/h5H,1-4H3,(H,10,12,14)
InChIKey
ALVDHBGUJHQGNC-UHFFFAOYSA-N
Compound name
1,5-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.10045 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10773 144.4
[M+Na]+ 221.08967 154.6
[M+NH4]+ 216.13427 151.2
[M+K]+ 237.06361 149.1
[M-H]- 197.09317 142.7
[M+Na-2H]- 219.07512 147.5
[M]+ 198.09990 145.1
[M]- 198.10100 145.1
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.