CID 132327964

2246816-47-5

Structural Information

Molecular Formula

C₁₁H₁₉BO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C=C2CCC2

InChI

InChI=1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)8-9-6-5-7-9/h8H,5-7H2,1-4H3

InChIKey

GQOZRKQZVVCDSV-UHFFFAOYSA-N

Compound name

2-(cyclobutylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 194.14781 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]+	195.15509	135.4
[M+Na]+	217.13703	141.8
[M-H]-	193.14053	143.6
[M+NH4]+	212.18163	152.0
[M+K]+	233.11097	145.1
[M+H-H2O]+	177.14507	128.6
[M+HCOO]-	239.14601	154.1
[M+CH3COO]-	253.16166	186.2
[M+Na-2H]-	215.12248	141.2
[M]+	194.14726	144.8
[M]-	194.14836	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe