CID 70975061

1408089-23-5

Structural Information

Molecular Formula
C14H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(O3)C
InChI
InChI=1S/C14H18BNO3/c1-9-16-11-7-6-10(8-12(11)17-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3
InChIKey
QFHIOYSELCPERT-UHFFFAOYSA-N
Compound name
2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

259.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14525 151.9
[M+Na]+ 282.12719 164.4
[M-H]- 258.13069 161.8
[M+NH4]+ 277.17179 173.0
[M+K]+ 298.10113 164.9
[M+H-H2O]+ 242.13523 147.9
[M+HCOO]- 304.13617 172.5
[M+CH3COO]- 318.15182 167.1
[M+Na-2H]- 280.11264 158.2
[M]+ 259.13742 159.4
[M]- 259.13852 159.4
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