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

4245
Patents

182.22058 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe