CID 90178

Imidazole-1-ethanol, 5-ethyl-2-nitro-

Structural Information

Molecular Formula
C7H11N3O3
SMILES
CCC1=CN=C(N1CCO)[N+](=O)[O-]
InChI
InChI=1S/C7H11N3O3/c1-2-6-5-8-7(10(12)13)9(6)3-4-11/h5,11H,2-4H2,1H3
InChIKey
ABGJIKXMJUSARA-UHFFFAOYSA-N
Compound name
2-(5-ethyl-2-nitroimidazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.08005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.08733 137.1
[M+Na]+ 208.06927 148.1
[M+NH4]+ 203.11387 143.4
[M+K]+ 224.04321 148.1
[M-H]- 184.07277 137.3
[M+Na-2H]- 206.05472 140.8
[M]+ 185.07950 138.3
[M]- 185.08060 138.3
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.