CID 5084099

2-isopropoxyphenylboronic acid

Structural Information

Molecular Formula

C₉H₁₃BO₃

SMILES

B(C1=CC=CC=C1OC(C)C)(O)O

InChI

InChI=1S/C9H13BO3/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7,11-12H,1-2H3

InChIKey

XDMKBIIRBDPSOE-UHFFFAOYSA-N

Compound name

(2-propan-2-yloxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 482
Patents: 180.09578 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]+	181.10306	137.8
[M+Na]+	203.08500	148.8
[M+NH4]+	198.12960	145.2
[M+K]+	219.05894	144.5
[M-H]-	179.08850	138.2
[M+Na-2H]-	201.07045	142.8
[M]+	180.09523	139.3
[M]-	180.09633	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe