CID 211785

Imidazole-1-acetic acid, 5-ethyl-2-nitro-

Structural Information

Molecular Formula
C7H9N3O4
SMILES
CCC1=CN=C(N1CC(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O4/c1-2-5-3-8-7(10(13)14)9(5)4-6(11)12/h3H,2,4H2,1H3,(H,11,12)
InChIKey
RXXRBAIMHROQBA-UHFFFAOYSA-N
Compound name
2-(5-ethyl-2-nitroimidazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.05931 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06659 139.2
[M+Na]+ 222.04853 149.5
[M+NH4]+ 217.09313 144.6
[M+K]+ 238.02247 150.8
[M-H]- 198.05203 138.5
[M+Na-2H]- 220.03398 142.0
[M]+ 199.05876 139.9
[M]- 199.05986 139.9
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.