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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe