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]+ 233.180176 152.7
[M+Na]+ 255.162118 154.4
[M-H]- 231.165624 143.6
[M+NH4]+ 250.206723 163.7
[M+K]+ 271.136058 152.1
[M+H-H2O]+ 215.170160 150.2
[M+HCOO]- 277.171101 159.5
[M+CH3COO]- 291.186751 190.8
[M+Na-2H]- 253.147566 163.0
[M]+ 232.17235142 156.9
[M]- 232.17344858 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.