CID 11805368

69611-02-5

Structural Information

Molecular Formula

C₁₀H₁₉BO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C/C=C/C

InChI

InChI=1S/C10H19BO2/c1-6-7-8-11-12-9(2,3)10(4,5)13-11/h6-7H,8H2,1-5H3/b7-6+

InChIKey

ARSSMJZIAKUXEW-VOTSOKGWSA-N

Compound name

2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 182.14781 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]+	183.15509	135.5
[M+Na]+	205.13703	144.2
[M-H]-	181.14053	140.7
[M+NH4]+	200.18163	159.3
[M+K]+	221.11097	145.2
[M+H-H2O]+	165.14507	133.0
[M+HCOO]-	227.14601	156.1
[M+CH3COO]-	241.16166	181.8
[M+Na-2H]-	203.12248	142.4
[M]+	182.14726	138.8
[M]-	182.14836	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe