CID 6438892

Rk-28

Structural Information

Molecular Formula

C₈H₁₁N₃O₄

SMILES

C1=CN(C(=N1)[N+](=O)[O-])COC/C=C/CO

InChI

InChI=1S/C8H11N3O4/c12-5-1-2-6-15-7-10-4-3-9-8(10)11(13)14/h1-4,12H,5-7H2/b2-1+

InChIKey

OGIXVTVGRBZYJM-OWOJBTEDSA-N

Compound name

(E)-4-[(2-nitroimidazol-1-yl)methoxy]but-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 18
References: 15
Patents: 213.07495 Da
Monoisotopic Mass: -0.2
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]+	214.08223	144.1
[M+Na]+	236.06417	154.1
[M+NH4]+	231.10877	149.4
[M+K]+	252.03811	154.1
[M-H]-	212.06767	143.5
[M+Na-2H]-	234.04962	147.2
[M]+	213.07440	144.7
[M]-	213.07550	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe