CID 102825

Tricyclohexyl borate

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: 1043
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	179.7
[M+Na]+	331.24152	187.4
[M+NH4]+	326.28612	188.3
[M+K]+	347.21546	180.2
[M-H]-	307.24502	185.0
[M+Na-2H]-	329.22697	184.3
[M]+	308.25175	181.9
[M]-	308.25285	181.9

Literature stripe

literature stripe

Patent stripe

patents stripe