CID 11112633

3,3'-methylenebis(1-tert-butyl-3-imidazolium bromide)

Structural Information

Molecular Formula
C15H26N4
SMILES
CC(C)(C)N1C=C[N+](=C1)C[N+]2=CN(C=C2)C(C)(C)C
InChI
InChI=1S/C15H26N4/c1-14(2,3)18-9-7-16(12-18)11-17-8-10-19(13-17)15(4,5)6/h7-10,12-13H,11H2,1-6H3/q+2
InChIKey
QITKMIZFIHLBDT-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-[(3-tert-butylimidazol-1-ium-1-yl)methyl]imidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

262.21576 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.22304 166.1
[M+Na]+ 285.20498 175.4
[M-H]- 261.20848 169.6
[M+NH4]+ 280.24958 181.2
[M+K]+ 301.17892 162.0
[M+H-H2O]+ 245.21302 163.2
[M+HCOO]- 307.21396 183.7
[M+CH3COO]- 321.22961 185.7
[M+Na-2H]- 283.19043 175.4
[M]+ 262.21521 167.2
[M]- 262.21631 167.2
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

patents stripe