CID 165891254

En300-39672500

Structural Information

Molecular Formula
C15H21BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C(=C2)OC)OCCO3
InChI
InChI=1S/C15H21BO5/c1-14(2)15(3,4)21-16(20-14)10-8-11(17-5)13-12(9-10)18-6-7-19-13/h8-9H,6-7H2,1-5H3
InChIKey
JBCBIUWUTPZSOQ-UHFFFAOYSA-N
Compound name
2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1482 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15548 162.5
[M+Na]+ 315.13742 171.6
[M-H]- 291.14092 173.1
[M+NH4]+ 310.18202 179.9
[M+K]+ 331.11136 174.6
[M+H-H2O]+ 275.14546 158.1
[M+HCOO]- 337.14640 178.2
[M+CH3COO]- 351.16205 201.9
[M+Na-2H]- 313.12287 169.4
[M]+ 292.14765 168.3
[M]- 292.14875 168.3
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.