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]+ 316.26625 192.8
[M+Na]+ 338.24819 190.9
[M-H]- 314.25169 184.2
[M+NH4]+ 333.29279 203.3
[M+K]+ 354.22213 193.2
[M+H-H2O]+ 298.25623 186.8
[M+HCOO]- 360.25717 198.4
[M+CH3COO]- 374.27282 196.4
[M+Na-2H]- 336.23364 196.2
[M]+ 315.25842 198.3
[M]- 315.25952 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.