CID 85629250

N,n,n-trimethylaminomethaneboronate

Structural Information

Molecular Formula

C₄H₁₃BNO₂

SMILES

B(C[N+](C)(C)C)(O)O

InChI

InChI=1S/C4H13BNO2/c1-6(2,3)4-5(7)8/h7-8H,4H2,1-3H3/q+1

InChIKey

ZEHYOSKORAYDFX-UHFFFAOYSA-N

Compound name

boronomethyl(trimethyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 118.103935 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]+	119.11121	119.7
[M+Na]+	141.09315	126.5
[M-H]-	117.09666	119.4
[M+NH4]+	136.13776	141.6
[M+K]+	157.06709	121.7
[M+H-H2O]+	101.10120	119.0
[M+HCOO]-	163.10214	141.1
[M+CH3COO]-	177.11779	163.8
[M+Na-2H]-	139.07860	129.3
[M]+	118.10339	117.9
[M]-	118.10448	117.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.