CID 4150924

9-benzyl-9-borabicyclo[3.3.1]nonane

Structural Information

Molecular Formula
C15H21B
SMILES
B1(C2CCCC1CCC2)CC3=CC=CC=C3
InChI
InChI=1S/C15H21B/c1-2-6-13(7-3-1)12-16-14-8-4-9-15(16)11-5-10-14/h1-3,6-7,14-15H,4-5,8-12H2
InChIKey
IQRBNRFCRAJXJF-UHFFFAOYSA-N
Compound name
9-benzyl-9-borabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

360
Patents

212.17363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18091 148.1
[M+Na]+ 235.16285 151.5
[M-H]- 211.16635 152.5
[M+NH4]+ 230.20745 167.9
[M+K]+ 251.13679 147.3
[M+H-H2O]+ 195.17089 140.9
[M+HCOO]- 257.17183 164.4
[M+CH3COO]- 271.18748 158.9
[M+Na-2H]- 233.14830 153.6
[M]+ 212.17308 141.6
[M]- 212.17418 141.6
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