CID 68594572

1082066-31-6

Structural Information

Molecular Formula
C15H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)OC
InChI
InChI=1S/C15H23BO3/c1-11(17-6)12-7-9-13(10-8-12)16-18-14(2,3)15(4,5)19-16/h7-11H,1-6H3
InChIKey
LVVQCZOONSKLDK-UHFFFAOYSA-N
Compound name
2-[4-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

262.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18128 156.5
[M+Na]+ 285.16322 164.9
[M-H]- 261.16672 165.1
[M+NH4]+ 280.20782 177.0
[M+K]+ 301.13716 165.8
[M+H-H2O]+ 245.17126 152.2
[M+HCOO]- 307.17220 176.2
[M+CH3COO]- 321.18785 197.9
[M+Na-2H]- 283.14867 160.8
[M]+ 262.17345 161.2
[M]- 262.17455 161.2
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