CID 86278601

2-(1,2-dicarbaundecaboran(11)-1-yl)-n,n-diethylacetamide potassium salt

Structural Information

Molecular Formula
C8H14B9NO
SMILES
[B]1[B][B][B]B2[B]C(C2CC(=O)N(CC)CC)[B][B][B]1
InChI
InChI=1S/C8H14B9NO/c1-3-18(4-2)7(19)5-6-8-9-11-12-13-14-15-16-17(6)10-8/h6,8H,3-5H2,1-2H3
InChIKey
HKCLHEKEVGVNED-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.19128 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.19856 170.8
[M+Na]+ 262.18050 169.6
[M-H]- 238.18400 159.9
[M+NH4]+ 257.22510 182.8
[M+K]+ 278.15444 174.3
[M+H-H2O]+ 222.18854 167.1
[M+HCOO]- 284.18948 177.8
[M+CH3COO]- 298.20513 203.1
[M+Na-2H]- 260.16595 175.3
[M]+ 239.19073 177.2
[M]- 239.19183 177.2
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.