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

44
Patents

275.13287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14015 153.4
[M+Na]+ 298.12209 166.8
[M-H]- 274.12559 163.7
[M+NH4]+ 293.16669 174.0
[M+K]+ 314.09603 167.3
[M+H-H2O]+ 258.13013 149.8
[M+HCOO]- 320.13107 174.3
[M+CH3COO]- 334.14672 168.9
[M+Na-2H]- 296.10754 159.4
[M]+ 275.13232 162.1
[M]- 275.13342 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