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]+ 226.18291 170.9
[M+Na]+ 248.16485 171.2
[M-H]- 224.16835 160.5
[M+NH4]+ 243.20945 185.2
[M+K]+ 264.13879 175.6
[M+H-H2O]+ 208.17289 167.7
[M+HCOO]- 270.17383 177.9
[M+CH3COO]- 284.18948 199.9
[M+Na-2H]- 246.15030 176.3
[M]+ 225.17508 177.2
[M]- 225.17618 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.