CID 102559

Tri-sec-butylborane

Structural Information

Molecular Formula

C₁₂H₂₇B

SMILES

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

InChI

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

InChIKey

YUPAWYWJNZDARM-UHFFFAOYSA-N

Compound name

tri(butan-2-yl)borane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3138
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	149.8
[M+Na]+	205.20980	153.4
[M-H]-	181.21330	149.3
[M+NH4]+	200.25440	170.0
[M+K]+	221.18374	153.3
[M+H-H2O]+	165.21784	144.8
[M+HCOO]-	227.21878	167.4
[M+CH3COO]-	241.23443	191.4
[M+Na-2H]-	203.19525	148.4
[M]+	182.22003	151.1
[M]-	182.22113	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe