CID 156784435

Db-391512

Structural Information

Molecular Formula

C₁₁H₂₁BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C(=C)CCOC

InChI

InChI=1S/C11H21BO3/c1-9(7-8-13-6)12-14-10(2,3)11(4,5)15-12/h1,7-8H2,2-6H3

InChIKey

SFSOCWZMHHGOAV-UHFFFAOYSA-N

Compound name

2-(4-methoxybut-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 212.15837 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]+	213.16565	143.4
[M+Na]+	235.14759	151.3
[M-H]-	211.15109	148.4
[M+NH4]+	230.19219	165.9
[M+K]+	251.12153	153.0
[M+H-H2O]+	195.15563	140.8
[M+HCOO]-	257.15657	162.9
[M+CH3COO]-	271.17222	188.4
[M+Na-2H]-	233.13304	148.7
[M]+	212.15782	148.0
[M]-	212.15892	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe