CID 209351

Imidazole, 1-(ethoxyethyl)-2-methyl-4-nitro-

Structural Information

Molecular Formula
C8H13N3O3
SMILES
CCOCCN1C=C(N=C1C)[N+](=O)[O-]
InChI
InChI=1S/C8H13N3O3/c1-3-14-5-4-10-6-8(11(12)13)9-7(10)2/h6H,3-5H2,1-2H3
InChIKey
XSSBSOSWWJRPTK-UHFFFAOYSA-N
Compound name
1-(2-ethoxyethyl)-2-methyl-4-nitroimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.09569 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10297 142.2
[M+Na]+ 222.08491 150.4
[M-H]- 198.08841 143.7
[M+NH4]+ 217.12951 160.2
[M+K]+ 238.05885 145.6
[M+H-H2O]+ 182.09295 139.7
[M+HCOO]- 244.09389 166.6
[M+CH3COO]- 258.10954 179.4
[M+Na-2H]- 220.07036 148.8
[M]+ 199.09514 144.1
[M]- 199.09624 144.1
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.