CID 44886920

871329-72-5

Structural Information

Molecular Formula

C₈H₁₅BO₂

SMILES

B(C1=CCC(CC1)CC)(O)O

InChI

InChI=1S/C8H15BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h5,7,10-11H,2-4,6H2,1H3

InChIKey

NCXGOXGWYXCMKH-UHFFFAOYSA-N

Compound name

(4-ethylcyclohexen-1-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 154.11652 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]+	155.12380	133.2
[M+Na]+	177.10574	143.4
[M+NH4]+	172.15034	141.4
[M+K]+	193.07968	138.4
[M-H]-	153.10924	134.1
[M+Na-2H]-	175.09119	137.5
[M]+	154.11597	134.6
[M]-	154.11707	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe