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]+ 312.33733 179.1
[M+Na]+ 334.31927 178.0
[M-H]- 310.32277 181.5
[M+NH4]+ 329.36387 194.0
[M+K]+ 350.29321 165.1
[M+H-H2O]+ 294.32731 174.8
[M+HCOO]- 356.32825 190.8
[M+CH3COO]- 370.34390 199.8
[M+Na-2H]- 332.30472 184.5
[M]+ 311.32950 170.1
[M]- 311.33060 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.