CID 71464280

1361110-64-6

Structural Information

Molecular Formula
C14H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NCCO3
InChI
InChI=1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)10-5-6-11-12(9-10)17-8-7-16-11/h5-6,9,16H,7-8H2,1-4H3
InChIKey
AUGHRUKXHXNOCW-UHFFFAOYSA-N
Compound name
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

261.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16091 157.8
[M+Na]+ 284.14285 170.1
[M+NH4]+ 279.18745 168.7
[M+K]+ 300.11679 163.2
[M-H]- 260.14635 164.5
[M+Na-2H]- 282.12830 163.7
[M]+ 261.15308 161.9
[M]- 261.15418 161.9
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