CID 86278588

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

Structural Information

Molecular Formula
C9H11B9N
SMILES
[B]1[B][B][B]B2[B]C(C2C[N+]3=CC=CC=C3C)[B][B][B]1
InChI
InChI=1S/C9H11B9N/c1-7-4-2-3-5-19(7)6-8-9-10-12-13-14-15-16-17-18(8)11-9/h2-5,8-9H,6H2,1H3/q+1
InChIKey
JSMFOVYEWDIQPE-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 136.9
[M+Na]+ 255.16212 145.6
[M+NH4]+ 250.20672 144.1
[M+K]+ 271.13606 140.0
[M-H]- 231.16562 134.7
[M+Na-2H]- 253.14757 135.0
[M]+ 232.17235 136.4
[M]- 232.17345 136.4
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.