CID 3072497

Oxazolo(5,4-b)pyridin-2(1h)-one, 1-(3-bromopropyl)-

Structural Information

Molecular Formula
C9H9BrN2O2
SMILES
C1=CC2=C(N=C1)OC(=O)N2CCCBr
InChI
InChI=1S/C9H9BrN2O2/c10-4-2-6-12-7-3-1-5-11-8(7)14-9(12)13/h1,3,5H,2,4,6H2
InChIKey
XAFOJZNEQCACEZ-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)-[1,3]oxazolo[5,4-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

255.98474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.992016 143.7
[M+Na]+ 278.973958 158.6
[M-H]- 254.977464 149.8
[M+NH4]+ 274.018563 163.9
[M+K]+ 294.947898 148.7
[M+H-H2O]+ 238.982000 143.4
[M+HCOO]- 300.982941 165.1
[M+CH3COO]- 314.998591 189.4
[M+Na-2H]- 276.959406 153.5
[M]+ 255.98419142 167.6
[M]- 255.98528858 167.6
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