CID 21988881

4-(diethylamino)phenylboronic acid

Structural Information

Molecular Formula

C₁₀H₁₆BNO₂

SMILES

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

InChI

InChI=1S/C10H16BNO2/c1-3-12(4-2)10-7-5-9(6-8-10)11(13)14/h5-8,13-14H,3-4H2,1-2H3

InChIKey

JEVVHTYCMAMSJL-UHFFFAOYSA-N

Compound name

[4-(diethylamino)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 165
Patents: 193.12741 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]+	194.13469	143.1
[M+Na]+	216.11663	153.6
[M+NH4]+	211.16123	150.8
[M+K]+	232.09057	148.7
[M-H]-	192.12013	144.8
[M+Na-2H]-	214.10208	148.6
[M]+	193.12686	144.9
[M]-	193.12796	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe