CID 18339

Nonylboronic acid

Structural Information

Molecular Formula

C₉H₂₁BO₂

SMILES

B(CCCCCCCCC)(O)O

InChI

InChI=1S/C9H21BO2/c1-2-3-4-5-6-7-8-9-10(11)12/h11-12H,2-9H2,1H3

InChIKey

RHPOAOZKVCLNPE-UHFFFAOYSA-N

Compound name

nonylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 75
Patents: 172.16347 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]+	173.170746	143.6
[M+Na]+	195.152688	148.1
[M-H]-	171.156194	140.3
[M+NH4]+	190.197293	162.7
[M+K]+	211.126628	146.5
[M+H-H2O]+	155.160730	138.7
[M+HCOO]-	217.161671	162.6
[M+CH3COO]-	231.177321	178.1
[M+Na-2H]-	193.138136	146.3
[M]+	172.16292142	144.7
[M]-	172.16401858	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe