CID 86278591

N,n-diethyl-3-(2-methyl-1,2-dicarbaundecaboran(11)-1-yl)propylamine

Structural Information

Molecular Formula
C10H20B9N
SMILES
[B]1[B][B][B]B2[B]C(C2CCCN(CC)CC)([B][B][B]1)C
InChI
InChI=1S/C10H20B9N/c1-4-20(5-2)8-6-7-9-10(3)11-13-14-15-16-17-18-19(9)12-10/h9H,4-8H2,1-3H3
InChIKey
BJQGNKMPWOQCNX-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.24332 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.25060 181.0
[M+Na]+ 276.23254 180.3
[M-H]- 252.23604 170.0
[M+NH4]+ 271.27714 194.5
[M+K]+ 292.20648 183.5
[M+H-H2O]+ 236.24058 177.1
[M+HCOO]- 298.24152 187.7
[M+CH3COO]- 312.25717 206.9
[M+Na-2H]- 274.21799 185.8
[M]+ 253.24277 188.1
[M]- 253.24387 188.1
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.