CID 2734346

3,5-dimethylisoxazole-4-boronic acid

Structural Information

Molecular Formula
C5H8BNO3
SMILES
B(C1=C(ON=C1C)C)(O)O
InChI
InChI=1S/C5H8BNO3/c1-3-5(6(8)9)4(2)10-7-3/h8-9H,1-2H3
InChIKey
DIIFZCPZIRQDIJ-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3068
Patents

141.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06700 124.8
[M+Na]+ 164.04894 134.2
[M-H]- 140.05244 126.0
[M+NH4]+ 159.09354 144.7
[M+K]+ 180.02288 134.3
[M+H-H2O]+ 124.05698 119.9
[M+HCOO]- 186.05792 145.6
[M+CH3COO]- 200.07357 168.4
[M+Na-2H]- 162.03439 129.8
[M]+ 141.05917 126.1
[M]- 141.06027 126.1
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