CID 3528229

N-tetradecylboronic acid

Structural Information

Molecular Formula

C₁₄H₃₁BO₂

SMILES

B(CCCCCCCCCCCCCC)(O)O

InChI

InChI=1S/C14H31BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h16-17H,2-14H2,1H3

InChIKey

MCUAMUGSKSODIJ-UHFFFAOYSA-N

Compound name

tetradecylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 242.24171 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]+	243.24899	163.8
[M+Na]+	265.23093	171.2
[M+NH4]+	260.27553	169.7
[M+K]+	281.20487	164.6
[M-H]-	241.23443	161.8
[M+Na-2H]-	263.21638	164.1
[M]+	242.24116	163.9
[M]-	242.24226	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe