CID 59273515

1016641-53-4

Structural Information

Molecular Formula
C14H18BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C(=O)O3)C
InChI
InChI=1S/C14H18BNO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-10-11(8-9)18-12(17)16(10)5/h6-8H,1-5H3
InChIKey
RRKZAEQTNGEFPO-UHFFFAOYSA-N
Compound name
3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

275.13287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.140146 153.4
[M+Na]+ 298.122088 166.8
[M-H]- 274.125594 163.7
[M+NH4]+ 293.166693 174.0
[M+K]+ 314.096028 167.3
[M+H-H2O]+ 258.130130 149.8
[M+HCOO]- 320.131071 174.3
[M+CH3COO]- 334.146721 168.9
[M+Na-2H]- 296.107536 159.4
[M]+ 275.13232142 162.1
[M]- 275.13341858 162.1
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