CID 89865775

Schembl15339551

Structural Information

Molecular Formula

C₉H₁₈BNO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C(=C)CN

InChI

InChI=1S/C9H18BNO2/c1-7(6-11)10-12-8(2,3)9(4,5)13-10/h1,6,11H2,2-5H3

InChIKey

PSAOJGDYIPYFIK-UHFFFAOYSA-N

Compound name

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 183.14307 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]+	184.15035	139.7
[M+Na]+	206.13229	148.5
[M+NH4]+	201.17689	149.8
[M+K]+	222.10623	143.2
[M-H]-	182.13579	143.0
[M+Na-2H]-	204.11774	144.5
[M]+	183.14252	142.0
[M]-	183.14362	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe