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

2
Annotation Hits: 0
References: 13
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]+	149.10921	129.6
[M+Na]+	171.09115	135.8
[M+NH4]+	166.13575	135.5
[M+K]+	187.06509	133.3
[M-H]-	147.09465	128.0
[M+Na-2H]-	169.07660	131.1
[M]+	148.10138	129.3
[M]-	148.10248	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe