CID 2773308

193905-93-0

Structural Information

Molecular Formula

C₁₁H₁₇BO₂

SMILES

B(C1=CC(=CC(=C1)C(C)(C)C)C)(O)O

InChI

InChI=1S/C11H17BO2/c1-8-5-9(11(2,3)4)7-10(6-8)12(13)14/h5-7,13-14H,1-4H3

InChIKey

XWWPIVKWAIMBMU-UHFFFAOYSA-N

Compound name

(3-tert-butyl-5-methylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 192.13216 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]+	193.13944	143.4
[M+Na]+	215.12138	154.9
[M+NH4]+	210.16598	151.0
[M+K]+	231.09532	150.3
[M-H]-	191.12488	143.9
[M+Na-2H]-	213.10683	148.5
[M]+	192.13161	145.2
[M]-	192.13271	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe