CID 72220922

1939174-64-7

Structural Information

Molecular Formula
C14H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=NO3)C
InChI
InChI=1S/C14H18BNO3/c1-9-11-7-6-10(8-12(11)17-16-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3
InChIKey
ZIQQVFSAZXLITF-UHFFFAOYSA-N
Compound name
3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14525 151.6
[M+Na]+ 282.12719 165.7
[M+NH4]+ 277.17179 162.8
[M+K]+ 298.10113 160.7
[M-H]- 258.13069 158.6
[M+Na-2H]- 280.11264 159.0
[M]+ 259.13742 156.2
[M]- 259.13852 156.2
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