CID 70691

Triisobutylborane

Structural Information

Molecular Formula

C₁₂H₂₇B

SMILES

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

InChI

InChI=1S/C12H27B/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3

InChIKey

XDSSGQHOYWGIKC-UHFFFAOYSA-N

Compound name

tris(2-methylpropyl)borane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3845
Patents: 182.22058 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]+	183.22786	149.0
[M+Na]+	205.20980	157.9
[M+NH4]+	200.25440	156.9
[M+K]+	221.18374	152.6
[M-H]-	181.21330	148.7
[M+Na-2H]-	203.19525	151.0
[M]+	182.22003	150.0
[M]-	182.22113	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe