CID 106665

65988-94-5

Structural Information

Molecular Formula
C8H13N3O4
SMILES
CCOCC(CN1C=CN=C1[N+](=O)[O-])O
InChI
InChI=1S/C8H13N3O4/c1-2-15-6-7(12)5-10-4-3-9-8(10)11(13)14/h3-4,7,12H,2,5-6H2,1H3
InChIKey
XLUFVYWWUQRZCL-UHFFFAOYSA-N
Compound name
1-ethoxy-3-(2-nitroimidazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

215.0906 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.097876 145.0
[M+Na]+ 238.079818 151.4
[M-H]- 214.083324 144.9
[M+NH4]+ 233.124423 161.1
[M+K]+ 254.053758 146.7
[M+H-H2O]+ 198.087860 142.3
[M+HCOO]- 260.088801 167.2
[M+CH3COO]- 274.104451 178.3
[M+Na-2H]- 236.065266 150.9
[M]+ 215.09005142 145.4
[M]- 215.09114858 145.4
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