CID 457791

16998-92-8

Structural Information

Molecular Formula
C10H18B2N4
SMILES
[B-]1(N2C=CC=[N+]2[B-](N3[N+]1=CC=C3)(C)C)(C)C
InChI
InChI=1S/C10H18B2N4/c1-11(2)13-7-5-9-15(13)12(3,4)16-10-6-8-14(11)16/h5-10H,1-4H3
InChIKey
FQKONKJRKPASKT-UHFFFAOYSA-N
Compound name
2,2,8,8-tetramethyl-3,9-diaza-1,7-diazonia-2,8-diboranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,10-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.17175 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.17903 149.1
[M+Na]+ 239.16097 160.2
[M-H]- 215.16447 148.5
[M+NH4]+ 234.20557 169.9
[M+K]+ 255.13491 146.4
[M+H-H2O]+ 199.16901 150.4
[M+HCOO]- 261.16995 166.3
[M+CH3COO]- 275.18560 172.2
[M+Na-2H]- 237.14642 159.4
[M]+ 216.17120 144.6
[M]- 216.17230 144.6
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.