CID 207580

Brn 0776684

Structural Information

Molecular Formula

C₄H₆N₂O₃

SMILES

C1CN(C(=O)NC1=O)O

InChI

InChI=1S/C4H6N2O3/c7-3-1-2-6(9)4(8)5-3/h9H,1-2H2,(H,5,7,8)

InChIKey

RODSSPBUSDGZOJ-UHFFFAOYSA-N

Compound name

1-hydroxy-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 130.03784 Da
Monoisotopic Mass: -1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	131.04512	123.9
[M+Na]+	153.02706	131.9
[M-H]-	129.03056	122.2
[M+NH4]+	148.07166	141.9
[M+K]+	169.00100	130.1
[M+H-H2O]+	113.03510	118.0
[M+HCOO]-	175.03604	141.1
[M+CH3COO]-	189.05169	164.2
[M+Na-2H]-	151.01251	129.3
[M]+	130.03729	118.7
[M]-	130.03839	118.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe