CID 45786358

1024677-77-7

Structural Information

Molecular Formula

C₁₂H₁₉BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(O2)CC

InChI

InChI=1S/C12H19BO3/c1-6-9-7-8-10(14-9)13-15-11(2,3)12(4,5)16-13/h7-8H,6H2,1-5H3

InChIKey

RVHCRYAZBIAHRB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 222.14273 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]+	223.15001	143.2
[M+Na]+	245.13195	152.9
[M-H]-	221.13545	152.6
[M+NH4]+	240.17655	165.7
[M+K]+	261.10589	154.7
[M+H-H2O]+	205.13999	141.0
[M+HCOO]-	267.14093	164.4
[M+CH3COO]-	281.15658	188.7
[M+Na-2H]-	243.11740	149.0
[M]+	222.14218	148.7
[M]-	222.14328	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe