CID 68594860

2-[4-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CCOC
InChI
InChI=1S/C15H23BO3/c1-14(2)15(3,4)19-16(18-14)13-8-6-12(7-9-13)10-11-17-5/h6-9H,10-11H2,1-5H3
InChIKey
RKQJMCGTIOOUJD-UHFFFAOYSA-N
Compound name
2-[4-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

262.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18128 156.3
[M+Na]+ 285.16322 165.0
[M-H]- 261.16672 164.9
[M+NH4]+ 280.20782 176.9
[M+K]+ 301.13716 165.4
[M+H-H2O]+ 245.17126 151.8
[M+HCOO]- 307.17220 177.0
[M+CH3COO]- 321.18785 196.9
[M+Na-2H]- 283.14867 161.8
[M]+ 262.17345 161.7
[M]- 262.17455 161.7
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