CID 289737

Tri-tert-butyl borate

Structural Information

Molecular Formula

C₁₂H₂₇BO₃

SMILES

B(OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C

InChI

InChI=1S/C12H27BO3/c1-10(2,3)14-13(15-11(4,5)6)16-12(7,8)9/h1-9H3

InChIKey

ZMCWFMOZBTXGKI-UHFFFAOYSA-N

Compound name

tritert-butyl borate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1492
Patents: 230.20532 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]+	231.21260	156.6
[M+Na]+	253.19454	164.2
[M+NH4]+	248.23914	162.4
[M+K]+	269.16848	161.8
[M-H]-	229.19804	153.3
[M+Na-2H]-	251.17999	158.1
[M]+	230.20477	156.7
[M]-	230.20587	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe