CID 3049194

64589-74-8

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₄

SMILES

C1C(OC(=O)N1C2=CC=C(C=C2)OCC#N)CO

InChI

InChI=1S/C12H12N2O4/c13-5-6-17-10-3-1-9(2-4-10)14-7-11(8-15)18-12(14)16/h1-4,11,15H,6-8H2

InChIKey

UJSQDDANKNEAJJ-UHFFFAOYSA-N

Compound name

2-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 248.07971 Da
Monoisotopic Mass: 0.6
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]+	249.086986	150.2
[M+Na]+	271.068928	160.0
[M-H]-	247.072434	153.7
[M+NH4]+	266.113533	164.0
[M+K]+	287.042868	157.1
[M+H-H2O]+	231.076970	136.2
[M+HCOO]-	293.077911	167.0
[M+CH3COO]-	307.093561	200.3
[M+Na-2H]-	269.054376	153.2
[M]+	248.07916142	146.5
[M]-	248.08025858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe