CID 3048296

63887-42-3

Structural Information

Molecular Formula
C19H40N2
SMILES
C[N+]1(CCCCC1)CCCCCCC[N+]2(CCCCC2)C
InChI
InChI=1S/C19H40N2/c1-20(16-10-6-11-17-20)14-8-4-3-5-9-15-21(2)18-12-7-13-19-21/h3-19H2,1-2H3/q+2
InChIKey
YPGMTLGQWWJLHO-UHFFFAOYSA-N
Compound name
1-methyl-1-[7-(1-methylpiperidin-1-ium-1-yl)heptyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

296.31915 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.32643 178.4
[M+Na]+ 319.30837 178.0
[M-H]- 295.31187 179.6
[M+NH4]+ 314.35297 193.6
[M+K]+ 335.28231 163.9
[M+H-H2O]+ 279.31641 174.3
[M+HCOO]- 341.31735 188.7
[M+CH3COO]- 355.33300 192.1
[M+Na-2H]- 317.29382 183.7
[M]+ 296.31860 168.9
[M]- 296.31970 168.9
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