CID 90362390

Tris(2-cyanoethyl) borate

Structural Information

Molecular Formula

C₉H₁₂BN₃O₃

SMILES

B(OCCC#N)(OCCC#N)OCCC#N

InChI

InChI=1S/C9H12BN3O3/c11-4-1-7-14-10(15-8-2-5-12)16-9-3-6-13/h1-3,7-9H2

InChIKey

QRJXIXWHPANYDU-UHFFFAOYSA-N

Compound name

tris(2-cyanoethyl) borate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 221.09717 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]+	222.10445	194.7
[M+Na]+	244.08639	198.2
[M+NH4]+	239.13099	192.6
[M+K]+	260.06033	189.8
[M-H]-	220.08989	184.4
[M+Na-2H]-	242.07184	190.0
[M]+	221.09662	191.1
[M]-	221.09772	191.1

Literature stripe

literature stripe

Patent stripe

patents stripe