CID 86278604

Acetamide, n,n-dimethyl-2-(1-methyl-1,2-dicarbaundecaboran(11)-2-yl)-, tetramethylammonium salt

Structural Information

Molecular Formula
C7H12B9NO
SMILES
[B]1[B][B][B]B2[B]C(C2C)([B][B][B]1)CC(=O)N(C)C
InChI
InChI=1S/C7H12B9NO/c1-5-7(4-6(18)17(2)3)8-10-11-12-13-14-15-16(5)9-7/h5H,4H2,1-3H3
InChIKey
IUBKSXJDWQTOEO-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.17563 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.182906 170.9
[M+Na]+ 248.164848 171.2
[M-H]- 224.168354 160.5
[M+NH4]+ 243.209453 185.2
[M+K]+ 264.138788 175.6
[M+H-H2O]+ 208.172890 167.7
[M+HCOO]- 270.173831 177.9
[M+CH3COO]- 284.189481 199.9
[M+Na-2H]- 246.150296 176.3
[M]+ 225.17508142 177.2
[M]- 225.17617858 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.