CID 15486611

287944-10-9

Structural Information

Molecular Formula

C₁₁H₁₉BO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CCCC2

InChI

InChI=1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)9-7-5-6-8-9/h7H,5-6,8H2,1-4H3

InChIKey

JFTZVYKESKQING-UHFFFAOYSA-N

Compound name

2-(cyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1109
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	138.8
[M+Na]+	217.13703	147.0
[M-H]-	193.14053	147.1
[M+NH4]+	212.18163	163.4
[M+K]+	233.11097	147.8
[M+H-H2O]+	177.14507	135.9
[M+HCOO]-	239.14601	159.7
[M+CH3COO]-	253.16166	182.5
[M+Na-2H]-	215.12248	143.7
[M]+	194.14726	140.0
[M]-	194.14836	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe