CID 21389939

62072-61-1

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

CC1=C(C=C(C=C1)N2CCOC2=O)O

InChI

InChI=1S/C10H11NO3/c1-7-2-3-8(6-9(7)12)11-4-5-14-10(11)13/h2-3,6,12H,4-5H2,1H3

InChIKey

XOMLYTOBCRGDHN-UHFFFAOYSA-N

Compound name

3-(3-hydroxy-4-methylphenyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 193.0739 Da
Monoisotopic Mass: 1.5
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]+	194.081176	138.8
[M+Na]+	216.063118	147.6
[M-H]-	192.066624	144.1
[M+NH4]+	211.107723	157.0
[M+K]+	232.037058	146.2
[M+H-H2O]+	176.071160	132.5
[M+HCOO]-	238.072101	159.5
[M+CH3COO]-	252.087751	179.4
[M+Na-2H]-	214.048566	142.8
[M]+	193.07335142	138.5
[M]-	193.07444858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe