CID 86278587

1-((1,2-dicarbaundecaboran(11)-1-yl)methyl)-4-methylpyridinium

Structural Information

Molecular Formula
C9H11B9N
SMILES
[B]1[B][B][B]B2[B]C(C2C[N+]3=CC=C(C=C3)C)[B][B][B]1
InChI
InChI=1S/C9H11B9N/c1-7-2-4-19(5-3-7)6-8-9-10-12-13-14-15-16-17-18(8)11-9/h2-5,8-9H,6H2,1H3/q+1
InChIKey
WIVQDTQEBXZVQK-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1729 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18018 152.7
[M+Na]+ 255.16212 154.4
[M-H]- 231.16562 143.6
[M+NH4]+ 250.20672 163.7
[M+K]+ 271.13606 152.1
[M+H-H2O]+ 215.17016 150.2
[M+HCOO]- 277.17110 159.5
[M+CH3COO]- 291.18675 190.8
[M+Na-2H]- 253.14757 163.0
[M]+ 232.17235 156.9
[M]- 232.17345 156.9
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.