CID 86278585

N,n-diethyl-1-(2-phenyl-1,2-dicarbaundecaboran(11)-1-yl)propylamine

Structural Information

Molecular Formula
C15H22B9N
SMILES
[B]1[B][B][B]B2[B]C(C2C(CC)N(CC)CC)([B][B][B]1)C3=CC=CC=C3
InChI
InChI=1S/C15H22B9N/c1-4-13(25(5-2)6-3)14-15(12-10-8-7-9-11-12)16-18-19-20-21-22-23-24(14)17-15/h7-11,13-14H,4-6H2,1-3H3
InChIKey
FAVMFAPUNDHSOU-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.25897 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.266246 192.8
[M+Na]+ 338.248188 190.9
[M-H]- 314.251694 184.2
[M+NH4]+ 333.292793 203.3
[M+K]+ 354.222128 193.2
[M+H-H2O]+ 298.256230 186.8
[M+HCOO]- 360.257171 198.4
[M+CH3COO]- 374.272821 196.4
[M+Na-2H]- 336.233636 196.2
[M]+ 315.25842142 198.3
[M]- 315.25951858 198.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.