CID 68686940

2-(5-ethyl-2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)CC)OC
InChI
InChI=1S/C15H23BO3/c1-7-11-8-9-13(17-6)12(10-11)16-18-14(2,3)15(4,5)19-16/h8-10H,7H2,1-6H3
InChIKey
WVYCAXKWKLZJLI-UHFFFAOYSA-N
Compound name
2-(5-ethyl-2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

262.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18128 154.9
[M+Na]+ 285.16322 164.5
[M-H]- 261.16672 163.9
[M+NH4]+ 280.20782 175.9
[M+K]+ 301.13716 164.9
[M+H-H2O]+ 245.17126 150.8
[M+HCOO]- 307.17220 175.6
[M+CH3COO]- 321.18785 198.2
[M+Na-2H]- 283.14867 159.9
[M]+ 262.17345 160.7
[M]- 262.17455 160.7
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