CID 16218172

1072952-00-1

Structural Information

Molecular Formula

C₁₀H₁₃BO₄

SMILES

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

InChI

InChI=1S/C10H13BO4/c1-7(2)15-10-4-3-9(11(13)14)5-8(10)6-12/h3-7,13-14H,1-2H3

InChIKey

MFWMHBLPARKSLU-UHFFFAOYSA-N

Compound name

(3-formyl-4-propan-2-yloxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 208.09068 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]+	209.09796	144.1
[M+Na]+	231.07990	154.8
[M+NH4]+	226.12450	150.5
[M+K]+	247.05384	151.0
[M-H]-	207.08340	143.7
[M+Na-2H]-	229.06535	148.0
[M]+	208.09013	145.2
[M]-	208.09123	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe