CID 137698561

1618099-61-8

Structural Information

Molecular Formula
C15H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C15H21BO4/c1-14(2)15(3,4)20-16(19-14)9-8-11-6-7-12(17)13(10-11)18-5/h6-10,17H,1-5H3/b9-8+
InChIKey
ZNSHKCGNGBBROO-CMDGGOBGSA-N
Compound name
2-methoxy-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16058 158.3
[M+Na]+ 299.14252 167.6
[M-H]- 275.14602 165.8
[M+NH4]+ 294.18712 177.8
[M+K]+ 315.11646 167.1
[M+H-H2O]+ 259.15056 154.3
[M+HCOO]- 321.15150 177.8
[M+CH3COO]- 335.16715 196.4
[M+Na-2H]- 297.12797 162.9
[M]+ 276.15275 162.9
[M]- 276.15385 162.9
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

No patent data available for this compound.