CID 102825

2467-16-5

Structural Information

Molecular Formula

C₁₈H₃₃BO₃

SMILES

B(OC1CCCCC1)(OC2CCCCC2)OC3CCCCC3

InChI

InChI=1S/C18H33BO3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h16-18H,1-15H2

InChIKey

BOOITXALNJLNMB-UHFFFAOYSA-N

Compound name

tricyclohexyl borate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1061
Patents: 308.2523 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]+	309.25958	177.0
[M+Na]+	331.24152	172.7
[M-H]-	307.24502	182.3
[M+NH4]+	326.28612	189.5
[M+K]+	347.21546	171.1
[M+H-H2O]+	291.24956	167.3
[M+HCOO]-	353.25050	187.5
[M+CH3COO]-	367.26615	202.7
[M+Na-2H]-	329.22697	174.5
[M]+	308.25175	165.6
[M]-	308.25285	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe