CID 86278590

(1,2-dicarbundecaboran(11)-1-yl)methyltriethylammonium

Structural Information

Molecular Formula
C9H19B9N
SMILES
[B]1[B][B][B]B2[B]C(C2C[N+](CC)(CC)CC)[B][B][B]1
InChI
InChI=1S/C9H19B9N/c1-4-19(5-2,6-3)7-8-9-10-12-13-14-15-16-17-18(8)11-9/h8-9H,4-7H2,1-3H3/q+1
InChIKey
HZFJKHRJKFREAN-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.23549 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.24277 165.9
[M+Na]+ 263.22471 165.3
[M-H]- 239.22821 155.5
[M+NH4]+ 258.26931 178.4
[M+K]+ 279.19865 164.2
[M+H-H2O]+ 223.23275 165.4
[M+HCOO]- 285.23369 172.7
[M+CH3COO]- 299.24934 198.5
[M+Na-2H]- 261.21016 175.4
[M]+ 240.23494 171.5
[M]- 240.23604 171.5
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.