CID 428198

73771-45-6

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₃

SMILES

CC1C(=O)N(C(=O)O1)CCC2=CC=NC=C2

InChI

InChI=1S/C11H12N2O3/c1-8-10(14)13(11(15)16-8)7-4-9-2-5-12-6-3-9/h2-3,5-6,8H,4,7H2,1H3

InChIKey

FZHNKDCKNSVKBG-UHFFFAOYSA-N

Compound name

5-methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 220.0848 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]+	221.09208	146.4
[M+Na]+	243.07402	155.5
[M-H]-	219.07752	151.4
[M+NH4]+	238.11862	162.7
[M+K]+	259.04796	153.9
[M+H-H2O]+	203.08206	138.7
[M+HCOO]-	265.08300	167.1
[M+CH3COO]-	279.09865	186.9
[M+Na-2H]-	241.05947	150.0
[M]+	220.08425	148.0
[M]-	220.08535	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe