CID 3048018

1,1'-methyliminodiethylenebis(1-ethylpiperidinium) dibromide

Structural Information

Molecular Formula
C19H41N3
SMILES
CC[N+]1(CCCCC1)CCN(C)CC[N+]2(CCCCC2)CC
InChI
InChI=1S/C19H41N3/c1-4-21(14-8-6-9-15-21)18-12-20(3)13-19-22(5-2)16-10-7-11-17-22/h4-19H2,1-3H3/q+2
InChIKey
RDVZZNPIPKNDCQ-UHFFFAOYSA-N
Compound name
2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.33005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.337326 179.1
[M+Na]+ 334.319268 178.0
[M-H]- 310.322774 181.5
[M+NH4]+ 329.363873 194.0
[M+K]+ 350.293208 165.1
[M+H-H2O]+ 294.327310 174.8
[M+HCOO]- 356.328251 190.8
[M+CH3COO]- 370.343901 199.8
[M+Na-2H]- 332.304716 184.5
[M]+ 311.32950142 170.1
[M]- 311.33059858 170.1
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.