CID 56973127

1025719-20-3

Structural Information

Molecular Formula
C14H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)N=C(O3)C
InChI
InChI=1S/C14H18BNO3/c1-9-16-11-8-6-7-10(12(11)17-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3
InChIKey
ZXAPMRKCTBADND-UHFFFAOYSA-N
Compound name
2-methyl-7-(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

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.