CID 71850

Mebezonium

Structural Information

Molecular Formula
C19H40N2
SMILES
C[N+](C)(C)C1CCC(CC1)CC2CCC(CC2)[N+](C)(C)C
InChI
InChI=1S/C19H40N2/c1-20(2,3)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)21(4,5)6/h16-19H,7-15H2,1-6H3/q+2
InChIKey
GSTUMYVOFKPZNS-UHFFFAOYSA-N
Compound name
trimethyl-[4-[[4-(trimethylazaniumyl)cyclohexyl]methyl]cyclohexyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

275
Patents

296.31915 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.32643 171.0
[M+Na]+ 319.30837 170.8
[M-H]- 295.31187 178.2
[M+NH4]+ 314.35297 186.6
[M+K]+ 335.28231 158.6
[M+H-H2O]+ 279.31641 169.2
[M+HCOO]- 341.31735 185.8
[M+CH3COO]- 355.33300 204.9
[M+Na-2H]- 317.29382 177.5
[M]+ 296.31860 162.2
[M]- 296.31970 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe