CID 10942698

82954-89-0

Structural Information

Molecular Formula

C₈H₁₇BO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)CC

InChI

InChI=1S/C8H17BO2/c1-6-9-10-7(2,3)8(4,5)11-9/h6H2,1-5H3

InChIKey

NPUBDPDASOEIOA-UHFFFAOYSA-N

Compound name

2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 156.13216 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]+	157.13944	127.4
[M+Na]+	179.12138	136.5
[M-H]-	155.12488	132.9
[M+NH4]+	174.16598	152.3
[M+K]+	195.09532	138.6
[M+H-H2O]+	139.12942	125.2
[M+HCOO]-	201.13036	148.5
[M+CH3COO]-	215.14601	177.3
[M+Na-2H]-	177.10683	135.3
[M]+	156.13161	130.7
[M]-	156.13271	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe