CID 10377106

3-(2-bromoethyl)-2h,3h-[1,3]oxazolo[4,5-b]pyridin-2-one

Structural Information

Molecular Formula

C₈H₇BrN₂O₂

SMILES

C1=CC2=C(N=C1)N(C(=O)O2)CCBr

InChI

InChI=1S/C8H7BrN2O2/c9-3-5-11-7-6(13-8(11)12)2-1-4-10-7/h1-2,4H,3,5H2

InChIKey

WYKFNKAPXYINNF-UHFFFAOYSA-N

Compound name

3-(2-bromoethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 241.96909 Da
Monoisotopic Mass: 1.3
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]+	242.976366	139.0
[M+Na]+	264.958308	154.3
[M-H]-	240.961814	145.3
[M+NH4]+	260.002913	159.7
[M+K]+	280.932248	144.6
[M+H-H2O]+	224.966350	138.8
[M+HCOO]-	286.967291	160.7
[M+CH3COO]-	300.982941	155.5
[M+Na-2H]-	262.943756	149.3
[M]+	241.96854142	162.5
[M]-	241.96963858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe