CID 31077

Tri-sec-butyl borate

Structural Information

Molecular Formula

C₁₂H₂₇BO₃

SMILES

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

InChI

InChI=1S/C12H27BO3/c1-7-10(4)14-13(15-11(5)8-2)16-12(6)9-3/h10-12H,7-9H2,1-6H3

InChIKey

MOFPNEADTSBYFQ-UHFFFAOYSA-N

Compound name

tributan-2-yl borate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 614
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	157.0
[M+Na]+	253.19454	164.5
[M+NH4]+	248.23914	163.1
[M+K]+	269.16848	160.8
[M-H]-	229.19804	155.0
[M+Na-2H]-	251.17999	157.6
[M]+	230.20477	157.2
[M]-	230.20587	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe