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

7
Patents

255.98474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99202 143.7
[M+Na]+ 278.97396 158.6
[M-H]- 254.97746 149.8
[M+NH4]+ 274.01856 163.9
[M+K]+ 294.94790 148.7
[M+H-H2O]+ 238.98200 143.4
[M+HCOO]- 300.98294 165.1
[M+CH3COO]- 314.99859 189.4
[M+Na-2H]- 276.95941 153.5
[M]+ 255.98419 167.6
[M]- 255.98529 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