CID 67459974

1867923-49-6

Structural Information

Molecular Formula

C₁₁H₁₉BO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C(=C)C2CC2

InChI

InChI=1S/C11H19BO2/c1-8(9-6-7-9)12-13-10(2,3)11(4,5)14-12/h9H,1,6-7H2,2-5H3

InChIKey

DOGJSLVOGBGMJP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
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	138.7
[M+Na]+	217.13703	148.2
[M-H]-	193.14053	147.9
[M+NH4]+	212.18163	156.7
[M+K]+	233.11097	149.8
[M+H-H2O]+	177.14507	135.5
[M+HCOO]-	239.14601	157.1
[M+CH3COO]-	253.16166	188.0
[M+Na-2H]-	215.12248	144.1
[M]+	194.14726	143.3
[M]-	194.14836	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe