CID 20580667

351456-69-4

Structural Information

Molecular Formula
C14H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)OC)C
InChI
InChI=1S/C14H21BO3/c1-10-11(8-7-9-12(10)16-6)15-17-13(2,3)14(4,5)18-15/h7-9H,1-6H3
InChIKey
WFZZMEOXDLWFHI-UHFFFAOYSA-N
Compound name
2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

248.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.16565 150.2
[M+Na]+ 271.14759 160.3
[M-H]- 247.15109 159.4
[M+NH4]+ 266.19219 171.7
[M+K]+ 287.12153 160.9
[M+H-H2O]+ 231.15563 146.3
[M+HCOO]- 293.15657 171.3
[M+CH3COO]- 307.17222 195.2
[M+Na-2H]- 269.13304 155.8
[M]+ 248.15782 155.7
[M]- 248.15892 155.7
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