CID 12711

Tripropyl borate

Structural Information

Molecular Formula

C₉H₂₁BO₃

SMILES

B(OCCC)(OCCC)OCCC

InChI

InChI=1S/C9H21BO3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H2,1-3H3

InChIKey

LTEHWCSSIHAVOQ-UHFFFAOYSA-N

Compound name

tripropyl borate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 5344
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]+	189.165646	145.0
[M+Na]+	211.147588	150.3
[M-H]-	187.151094	144.6
[M+NH4]+	206.192193	164.9
[M+K]+	227.121528	151.1
[M+H-H2O]+	171.155630	139.5
[M+HCOO]-	233.156571	167.3
[M+CH3COO]-	247.172221	185.4
[M+Na-2H]-	209.133036	148.9
[M]+	188.15782142	151.5
[M]-	188.15891858	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe