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]+ 186.050936 132.5
[M+Na]+ 208.032878 140.1
[M-H]- 184.036384 134.0
[M+NH4]+ 203.077483 149.5
[M+K]+ 224.006818 135.8
[M+H-H2O]+ 168.040920 130.6
[M+HCOO]- 230.041861 152.3
[M+CH3COO]- 244.057511 170.9
[M+Na-2H]- 206.018326 141.8
[M]+ 185.04311142 130.0
[M]- 185.04420858 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

literature stripe

Patent stripe

patents stripe