CID 59535069

1220696-32-1

Structural Information

Molecular Formula
C14H18BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC(=O)N3C
InChI
InChI=1S/C14H18BNO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-11-10(8-9)16(5)12(17)18-11/h6-8H,1-5H3
InChIKey
VXXBZTDHBOGQDX-UHFFFAOYSA-N
Compound name
3-methyl-5-(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

89
Patents

275.13287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14015 154.1
[M+Na]+ 298.12209 168.0
[M+NH4]+ 293.16669 164.4
[M+K]+ 314.09603 163.6
[M-H]- 274.12559 160.4
[M+Na-2H]- 296.10754 160.7
[M]+ 275.13232 158.3
[M]- 275.13342 158.3
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