CID 46739468

Isoxazole-4-boronic acid

Structural Information

Molecular Formula
C3H4BNO3
SMILES
B(C1=CON=C1)(O)O
InChI
InChI=1S/C3H4BNO3/c6-4(7)3-1-5-8-2-3/h1-2,6-7H
InChIKey
HANPIZQMFCWPKY-UHFFFAOYSA-N
Compound name
1,2-oxazol-4-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

510
Patents

113.02842 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.03570 116.2
[M+Na]+ 136.01764 124.5
[M-H]- 112.02114 116.8
[M+NH4]+ 131.06224 136.5
[M+K]+ 151.99158 125.1
[M+H-H2O]+ 96.025680 110.9
[M+HCOO]- 158.02662 137.6
[M+CH3COO]- 172.04227 159.9
[M+Na-2H]- 134.00309 123.6
[M]+ 113.02787 115.9
[M]- 113.02897 115.9
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