CID 11435180

Diisopropyl allylboronate

Structural Information

Molecular Formula

C₉H₁₉BO₂

SMILES

B(CC=C)(OC(C)C)OC(C)C

InChI

InChI=1S/C9H19BO2/c1-6-7-10(11-8(2)3)12-9(4)5/h6,8-9H,1,7H2,2-5H3

InChIKey

LWPLTONTMJTRJL-UHFFFAOYSA-N

Compound name

di(propan-2-yloxy)-prop-2-enylborane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 102
Patents: 170.14781 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]+	171.15509	140.7
[M+Na]+	193.13703	146.0
[M-H]-	169.14053	140.6
[M+NH4]+	188.18163	161.3
[M+K]+	209.11097	146.6
[M+H-H2O]+	153.14507	135.8
[M+HCOO]-	215.14601	161.0
[M+CH3COO]-	229.16166	184.3
[M+Na-2H]-	191.12248	142.2
[M]+	170.14726	143.8
[M]-	170.14836	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe