CID 334973

1-(2,3-epoxypropyl)-2-nitroimidazole

Structural Information

Molecular Formula
C6H7N3O3
SMILES
C1C(O1)CN2C=CN=C2[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O3/c10-9(11)6-7-1-2-8(6)3-5-4-12-5/h1-2,5H,3-4H2
InChIKey
SYFMSLVOHQZYEB-UHFFFAOYSA-N
Compound name
2-nitro-1-(oxiran-2-ylmethyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

169.04874 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 136.8
[M+Na]+ 192.03796 150.4
[M+NH4]+ 187.08256 144.7
[M+K]+ 208.01190 151.2
[M-H]- 168.04146 147.2
[M+Na-2H]- 190.02341 144.6
[M]+ 169.04819 142.5
[M]- 169.04929 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe