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

5
Patents

241.96909 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.97637 139.0
[M+Na]+ 264.95831 154.3
[M-H]- 240.96181 145.3
[M+NH4]+ 260.00291 159.7
[M+K]+ 280.93225 144.6
[M+H-H2O]+ 224.96635 138.8
[M+HCOO]- 286.96729 160.7
[M+CH3COO]- 300.98294 155.5
[M+Na-2H]- 262.94376 149.3
[M]+ 241.96854 162.5
[M]- 241.96964 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe