CID 3059782

77234-81-2

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₃

SMILES

C1=CC(=CC=C1C(CN2C=CN=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O3/c15-11(7-13-6-5-12-8-13)9-1-3-10(4-2-9)14(16)17/h1-6,8,11,15H,7H2

InChIKey

NCSHDJZAOSCRPM-UHFFFAOYSA-N

Compound name

2-imidazol-1-yl-1-(4-nitrophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 233.08005 Da
Monoisotopic Mass: 1.0
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]+	234.08733	148.1
[M+Na]+	256.06927	160.6
[M+NH4]+	251.11387	154.9
[M+K]+	272.04321	159.9
[M-H]-	232.07277	150.9
[M+Na-2H]-	254.05472	155.0
[M]+	233.07950	150.3
[M]-	233.08060	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe