CID 23005365

163517-56-4

Structural Information

Molecular Formula

C₁₀H₁₃BO₂

SMILES

B1(OCCCO1)C2=CC=CC=C2C

InChI

InChI=1S/C10H13BO2/c1-9-5-2-3-6-10(9)11-12-7-4-8-13-11/h2-3,5-6H,4,7-8H2,1H3

InChIKey

UIDYFYHQHHMEKA-UHFFFAOYSA-N

Compound name

2-(2-methylphenyl)-1,3,2-dioxaborinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 176.10086 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]+	177.10814	136.2
[M+Na]+	199.09008	150.4
[M+NH4]+	194.13468	146.0
[M+K]+	215.06402	143.8
[M-H]-	175.09358	143.7
[M+Na-2H]-	197.07553	144.2
[M]+	176.10031	140.5
[M]-	176.10141	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe