CID 110003

Ethanol, 2-[[2-(boronooxy)ethyl]amino]-

Structural Information

Molecular Formula

C₄H₁₂BNO₄

SMILES

B(O)(O)OCCNCCO

InChI

InChI=1S/C4H12BNO4/c7-3-1-6-2-4-10-5(8)9/h6-9H,1-4H2

InChIKey

JKAFRCMYEOOOLK-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethylamino)ethoxyboronic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 149.08594 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]+	150.09322	129.6
[M+Na]+	172.07516	134.7
[M-H]-	148.07866	125.6
[M+NH4]+	167.11976	148.3
[M+K]+	188.04910	134.4
[M+H-H2O]+	132.08320	124.7
[M+HCOO]-	194.08414	150.2
[M+CH3COO]-	208.09979	169.6
[M+Na-2H]-	170.06061	134.7
[M]+	149.08539	129.0
[M]-	149.08649	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe