CID 71149

Broxaterol

Structural Information

Molecular Formula
C9H15BrN2O2
SMILES
CC(C)(C)NCC(C1=CC(=NO1)Br)O
InChI
InChI=1S/C9H15BrN2O2/c1-9(2,3)11-5-6(13)7-4-8(10)12-14-7/h4,6,11,13H,5H2,1-3H3
InChIKey
JBRBWHCVRGURBA-UHFFFAOYSA-N
Compound name
1-(3-bromo-1,2-oxazol-5-yl)-2-(tert-butylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

42
References

4037
Patents

262.03168 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.03896 156.5
[M+Na]+ 285.02090 156.4
[M+NH4]+ 280.06550 159.4
[M+K]+ 300.99484 160.2
[M-H]- 261.02440 155.8
[M+Na-2H]- 283.00635 156.4
[M]+ 262.03113 154.9
[M]- 262.03223 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe