CID 5702651

59239-44-0

Structural Information

Molecular Formula

C₅H₁₁BO₂

SMILES

B(/C=C/CCC)(O)O

InChI

InChI=1S/C5H11BO2/c1-2-3-4-5-6(7)8/h4-5,7-8H,2-3H2,1H3/b5-4+

InChIKey

SYKWJOZHNDPWIM-SNAWJCMRSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 337
Patents: 114.08521 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]+	115.09249	123.8
[M+Na]+	137.07443	130.4
[M-H]-	113.07793	121.4
[M+NH4]+	132.11903	145.3
[M+K]+	153.04837	129.2
[M+H-H2O]+	97.082470	119.9
[M+HCOO]-	159.08341	144.4
[M+CH3COO]-	173.09906	164.4
[M+Na-2H]-	135.05988	128.8
[M]+	114.08466	122.7
[M]-	114.08576	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe