CID 86278589

2-(2-methyl-1,2-dicarbaundecaboran(11)-1-yl)triethylamine

Structural Information

Molecular Formula
C9H18B9N
SMILES
[B]1[B][B][B]B2[B]C(C2CCN(CC)CC)([B][B][B]1)C
InChI
InChI=1S/C9H18B9N/c1-4-19(5-2)7-6-8-9(3)10-12-13-14-15-16-17-18(8)11-9/h8H,4-7H2,1-3H3
InChIKey
QWPWDWLOJWTZPN-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.22768 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.234956 176.4
[M+Na]+ 262.216898 176.1
[M-H]- 238.220404 165.6
[M+NH4]+ 257.261503 190.4
[M+K]+ 278.190838 179.5
[M+H-H2O]+ 222.224940 172.7
[M+HCOO]- 284.225881 183.5
[M+CH3COO]- 298.241531 204.2
[M+Na-2H]- 260.202346 181.7
[M]+ 239.22713142 183.2
[M]- 239.22822858 183.2
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.