CID 89633

Bis(2-aminoethyl)borate

Structural Information

Molecular Formula

C₄H₁₃BN₂O₃

SMILES

B(O)(OCCN)OCCN

InChI

InChI=1S/C4H13BN2O3/c6-1-3-9-5(8)10-4-2-7/h8H,1-4,6-7H2

InChIKey

UKSJHEHERZWQRA-UHFFFAOYSA-N

Compound name

bis(2-aminoethoxy)borinic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 17
Patents: 148.10193 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]+	149.109206	129.7
[M+Na]+	171.091148	134.9
[M-H]-	147.094654	127.5
[M+NH4]+	166.135753	149.1
[M+K]+	187.065088	135.1
[M+H-H2O]+	131.099190	124.1
[M+HCOO]-	193.100131	152.9
[M+CH3COO]-	207.115781	176.4
[M+Na-2H]-	169.076596	134.0
[M]+	148.10138142	128.6
[M]-	148.10247858	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe