CID 521157

Ethylboronic acid

Structural Information

Molecular Formula

SMILES

B(CC)(O)O

InChI

InChI=1S/C2H7BO2/c1-2-3(4)5/h4-5H,2H2,1H3

InChIKey

PAVZHTXVORCEHP-UHFFFAOYSA-N

Compound name

ethylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4633
Patents: 74.05391 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]+	75.061186	111.2
[M+Na]+	97.043128	118.7
[M-H]-	73.046634	109.2
[M+NH4]+	92.087733	134.2
[M+K]+	113.01707	118.9
[M+H-H2O]+	57.051170	107.8
[M+HCOO]-	119.05211	132.5
[M+CH3COO]-	133.06776	156.9
[M+Na-2H]-	95.028576	117.7
[M]+	74.053361	109.7
[M]-	74.054459	109.7

Literature stripe

literature stripe

Patent stripe

patents stripe