CID 52976

Nonyl boric acid

Structural Information

Molecular Formula

C₉H₂₁BO₃

SMILES

B(O)(O)OCCCCCCCCC

InChI

InChI=1S/C9H21BO3/c1-2-3-4-5-6-7-8-9-13-10(11)12/h11-12H,2-9H2,1H3

InChIKey

BRCSSEXPXACJJV-UHFFFAOYSA-N

Compound name

nonoxyboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 188.15837 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]+	189.16565	146.3
[M+Na]+	211.14759	150.7
[M-H]-	187.15109	142.9
[M+NH4]+	206.19219	164.7
[M+K]+	227.12153	149.6
[M+H-H2O]+	171.15563	141.1
[M+HCOO]-	233.15657	165.5
[M+CH3COO]-	247.17222	180.1
[M+Na-2H]-	209.13304	149.0
[M]+	188.15782	148.9
[M]-	188.15892	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe