CID 135625308

2-hydroxylamino-5-ethyl-5-propylbarbituric acid

Structural Information

Molecular Formula
C9H15N3O3
SMILES
CCCC1(C(=O)NC(=NO)NC1=O)CC
InChI
InChI=1S/C9H15N3O3/c1-3-5-9(4-2)6(13)10-8(12-15)11-7(9)14/h15H,3-5H2,1-2H3,(H2,10,11,12,13,14)
InChIKey
XIMHYJMEMACSBZ-UHFFFAOYSA-N
Compound name
5-ethyl-2-hydroxyimino-5-propyl-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

213.11134 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.11862 147.2
[M+Na]+ 236.10056 154.4
[M-H]- 212.10406 145.4
[M+NH4]+ 231.14516 163.8
[M+K]+ 252.07450 151.2
[M+H-H2O]+ 196.10860 141.4
[M+HCOO]- 258.10954 164.0
[M+CH3COO]- 272.12519 183.9
[M+Na-2H]- 234.08601 151.1
[M]+ 213.11079 143.1
[M]- 213.11189 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.