CID 71303784

1346808-41-0

Structural Information

Molecular Formula
C10H16BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(ON=C2)C
InChI
InChI=1S/C10H16BNO3/c1-7-8(6-12-13-7)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3
InChIKey
VWYZENWRLMNXDO-UHFFFAOYSA-N
Compound name
5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

209.12233 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12961 137.8
[M+Na]+ 232.11155 148.3
[M-H]- 208.11505 146.2
[M+NH4]+ 227.15615 159.5
[M+K]+ 248.08549 150.7
[M+H-H2O]+ 192.11959 134.7
[M+HCOO]- 254.12053 158.5
[M+CH3COO]- 268.13618 185.4
[M+Na-2H]- 230.09700 144.2
[M]+ 209.12178 143.2
[M]- 209.12288 143.2
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