CID 21973908

1201905-61-4

Structural Information

Molecular Formula

C₁₀H₁₉BO₃

SMILES

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

InChI

InChI=1S/C10H19BO3/c1-6-12-8-7-11-13-9(2,3)10(4,5)14-11/h7-8H,6H2,1-5H3/b8-7+

InChIKey

MRAYNLYCQPAZJN-BQYQJAHWSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1134
Patents: 198.14273 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]+	199.15001	138.6
[M+Na]+	221.13195	147.2
[M-H]-	197.13545	143.8
[M+NH4]+	216.17655	161.7
[M+K]+	237.10589	148.7
[M+H-H2O]+	181.13999	136.0
[M+HCOO]-	243.14093	159.5
[M+CH3COO]-	257.15658	183.8
[M+Na-2H]-	219.11740	145.6
[M]+	198.14218	143.4
[M]-	198.14328	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe