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]+ 240.198556 170.8
[M+Na]+ 262.180498 169.6
[M-H]- 238.184004 159.9
[M+NH4]+ 257.225103 182.8
[M+K]+ 278.154438 174.3
[M+H-H2O]+ 222.188540 167.1
[M+HCOO]- 284.189481 177.8
[M+CH3COO]- 298.205131 203.1
[M+Na-2H]- 260.165946 175.3
[M]+ 239.19073142 177.2
[M]- 239.19182858 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.