CID 5280120

2-nitro-6,7-dihydro-5h-imidazo[2,1-b][1,3]oxazin-6-ol

Structural Information

Molecular Formula
C6H7N3O4
SMILES
C1C(COC2=NC(=CN21)[N+](=O)[O-])O
InChI
InChI=1S/C6H7N3O4/c10-4-1-8-2-5(9(11)12)7-6(8)13-3-4/h2,4,10H,1,3H2
InChIKey
HMFPMGBWSFUHEN-UHFFFAOYSA-N
Compound name
2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

185.04366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05094 132.5
[M+Na]+ 208.03288 140.1
[M-H]- 184.03638 134.0
[M+NH4]+ 203.07748 149.5
[M+K]+ 224.00682 135.8
[M+H-H2O]+ 168.04092 130.6
[M+HCOO]- 230.04186 152.3
[M+CH3COO]- 244.05751 170.9
[M+Na-2H]- 206.01833 141.8
[M]+ 185.04311 130.0
[M]- 185.04421 130.0
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.