CID 2773500

171364-80-0

Structural Information

Molecular Formula

C₁₄H₁₉BO₄

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-8-6-10(7-9-11)12(16)17-5/h6-9H,1-5H3

InChIKey

REIZEQZILPXYKS-UHFFFAOYSA-N

Compound name

methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 559
Patents: 262.13763 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	263.144906	153.8
[M+Na]+	285.126848	162.9
[M-H]-	261.130354	162.7
[M+NH4]+	280.171453	174.3
[M+K]+	301.100788	164.0
[M+H-H2O]+	245.134890	149.7
[M+HCOO]-	307.135831	174.2
[M+CH3COO]-	321.151481	195.6
[M+Na-2H]-	283.112296	158.9
[M]+	262.13708142	158.9
[M]-	262.13817858	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe