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]+ 241.242766 165.9
[M+Na]+ 263.224708 165.3
[M-H]- 239.228214 155.5
[M+NH4]+ 258.269313 178.4
[M+K]+ 279.198648 164.2
[M+H-H2O]+ 223.232750 165.4
[M+HCOO]- 285.233691 172.7
[M+CH3COO]- 299.249341 198.5
[M+Na-2H]- 261.210156 175.4
[M]+ 240.23494142 171.5
[M]- 240.23603858 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.