CID 17750258

675605-91-1

Structural Information

Molecular Formula
C14H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)COC
InChI
InChI=1S/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)12-8-6-7-11(9-12)10-16-5/h6-9H,10H2,1-5H3
InChIKey
FDTVLJCTUKZTMS-UHFFFAOYSA-N
Compound name
2-[3-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

248.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.16565 153.1
[M+Na]+ 271.14759 165.7
[M+NH4]+ 266.19219 164.2
[M+K]+ 287.12153 158.2
[M-H]- 247.15109 159.1
[M+Na-2H]- 269.13304 161.4
[M]+ 248.15782 157.1
[M]- 248.15892 157.1
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