CID 53230236

1287752-88-8

Structural Information

Molecular Formula

C₁₀H₁₇BO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C#CCC

InChI

InChI=1S/C10H17BO2/c1-6-7-8-11-12-9(2,3)10(4,5)13-11/h6H2,1-5H3

InChIKey

MNPPDEKCCSRVEX-UHFFFAOYSA-N

Compound name

2-but-1-ynyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 180.13216 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]+	181.13944	129.7
[M+Na]+	203.12138	141.6
[M-H]-	179.12488	133.8
[M+NH4]+	198.16598	151.4
[M+K]+	219.09532	139.7
[M+H-H2O]+	163.12942	120.9
[M+HCOO]-	225.13036	145.4
[M+CH3COO]-	239.14601	188.6
[M+Na-2H]-	201.10683	136.4
[M]+	180.13161	127.8
[M]-	180.13271	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe