CID 3062531

Vo 043

Structural Information

Molecular Formula
C17H37N3
SMILES
CN(CC[N+]1(CCCCC1)C)CC[N+]2(CCCCC2)C
InChI
InChI=1S/C17H37N3/c1-18(10-16-19(2)12-6-4-7-13-19)11-17-20(3)14-8-5-9-15-20/h4-17H2,1-3H3/q+2
InChIKey
DANKYNUARRZZEB-UHFFFAOYSA-N
Compound name
N-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.29874 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.306016 170.3
[M+Na]+ 306.287958 170.1
[M-H]- 282.291464 173.2
[M+NH4]+ 301.332563 186.4
[M+K]+ 322.261898 157.7
[M+H-H2O]+ 266.296000 166.5
[M+HCOO]- 328.296941 182.8
[M+CH3COO]- 342.312591 193.9
[M+Na-2H]- 304.273406 176.9
[M]+ 283.29819142 160.7
[M]- 283.29928858 160.7
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.