CID 129146

120398-89-2

Structural Information

Molecular Formula
C7H11N3O5
SMILES
C1=CN(C(=N1)[N+](=O)[O-])COC(CO)CO
InChI
InChI=1S/C7H11N3O5/c11-3-6(4-12)15-5-9-2-1-8-7(9)10(13)14/h1-2,6,11-12H,3-5H2
InChIKey
DWSFCAKOSWFTCK-UHFFFAOYSA-N
Compound name
2-[(2-nitroimidazol-1-yl)methoxy]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

34
Patents

217.06987 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07715 142.9
[M+Na]+ 240.05909 151.6
[M+NH4]+ 235.10369 147.5
[M+K]+ 256.03303 153.7
[M-H]- 216.06259 141.3
[M+Na-2H]- 238.04454 144.9
[M]+ 217.06932 142.9
[M]- 217.07042 142.9
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