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 137.5
[M+Na]+ 208.06927 145.8
[M-H]- 184.07277 137.8
[M+NH4]+ 203.11387 155.3
[M+K]+ 224.04321 140.2
[M+H-H2O]+ 168.07731 135.4
[M+HCOO]- 230.07825 160.8
[M+CH3COO]- 244.09390 173.6
[M+Na-2H]- 206.05472 144.2
[M]+ 185.07950 137.3
[M]- 185.08060 137.3
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

patents stripe