CID 86278589

2-(2-methyl-1,2-dicarbaundecaboran(11)-1-yl)triethylamine

Structural Information

Molecular Formula
C9H18B9N
SMILES
[B]1[B][B][B]B2[B]C(C2CCN(CC)CC)([B][B][B]1)C
InChI
InChI=1S/C9H18B9N/c1-4-19(5-2)7-6-8-9(3)10-12-13-14-15-16-17-18(8)11-9/h8H,4-7H2,1-3H3
InChIKey
QWPWDWLOJWTZPN-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.22768 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.23496 176.4
[M+Na]+ 262.21690 176.1
[M-H]- 238.22040 165.6
[M+NH4]+ 257.26150 190.4
[M+K]+ 278.19084 179.5
[M+H-H2O]+ 222.22494 172.7
[M+HCOO]- 284.22588 183.5
[M+CH3COO]- 298.24153 204.2
[M+Na-2H]- 260.20235 181.7
[M]+ 239.22713 183.2
[M]- 239.22823 183.2
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.