CID 5708391

42599-16-6

Structural Information

Molecular Formula

C₈H₁₇BO₂

SMILES

B(/C=C/CCCCCC)(O)O

InChI

InChI=1S/C8H17BO2/c1-2-3-4-5-6-7-8-9(10)11/h7-8,10-11H,2-6H2,1H3/b8-7+

InChIKey

RBTAJLKAPFBZDQ-BQYQJAHWSA-N

Compound name

[(E)-oct-1-enyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
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	136.8
[M+Na]+	179.12138	145.5
[M+NH4]+	174.16598	143.5
[M+K]+	195.09532	140.3
[M-H]-	155.12488	134.8
[M+Na-2H]-	177.10683	138.6
[M]+	156.13161	137.1
[M]-	156.13271	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe