CID 207580

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.045116 123.9
[M+Na]+ 153.027058 131.9
[M-H]- 129.030564 122.2
[M+NH4]+ 148.071663 141.9
[M+K]+ 169.000998 130.1
[M+H-H2O]+ 113.035100 118.0
[M+HCOO]- 175.036041 141.1
[M+CH3COO]- 189.051691 164.2
[M+Na-2H]- 151.012506 129.3
[M]+ 130.03729142 118.7
[M]- 130.03838858 118.7
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

patents stripe