CID 36609

5-(2-hydroxypropyl)-5-isopropylbarbituric acid

Structural Information

Molecular Formula
C10H16N2O4
SMILES
CC(C)C1(C(=O)NC(=O)NC1=O)CC(C)O
InChI
InChI=1S/C10H16N2O4/c1-5(2)10(4-6(3)13)7(14)11-9(16)12-8(10)15/h5-6,13H,4H2,1-3H3,(H2,11,12,14,15,16)
InChIKey
PKMMAWVSVCNKLQ-UHFFFAOYSA-N
Compound name
5-(2-hydroxypropyl)-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

228.11101 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.11829 152.3
[M+Na]+ 251.10023 159.9
[M+NH4]+ 246.14483 157.4
[M+K]+ 267.07417 156.1
[M-H]- 227.10373 148.7
[M+Na-2H]- 249.08568 153.4
[M]+ 228.11046 151.8
[M]- 228.11156 151.8
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.