CID 59648165

1000894-08-5

Structural Information

Molecular Formula
C6H10BNO4
SMILES
B(C1=C(ON=C1COC)C)(O)O
InChI
InChI=1S/C6H10BNO4/c1-4-6(7(9)10)5(3-11-2)8-12-4/h9-10H,3H2,1-2H3
InChIKey
OFDMWBIEGDCUKQ-UHFFFAOYSA-N
Compound name
[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

171.07028 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07756 132.1
[M+Na]+ 194.05950 140.9
[M-H]- 170.06300 133.1
[M+NH4]+ 189.10410 150.7
[M+K]+ 210.03344 141.3
[M+H-H2O]+ 154.06754 126.7
[M+HCOO]- 216.06848 152.8
[M+CH3COO]- 230.08413 173.5
[M+Na-2H]- 192.04495 136.7
[M]+ 171.06973 135.2
[M]- 171.07083 135.2
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