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]+ 284.30602 170.3
[M+Na]+ 306.28796 170.1
[M-H]- 282.29146 173.2
[M+NH4]+ 301.33256 186.4
[M+K]+ 322.26190 157.7
[M+H-H2O]+ 266.29600 166.5
[M+HCOO]- 328.29694 182.8
[M+CH3COO]- 342.31259 193.9
[M+Na-2H]- 304.27341 176.9
[M]+ 283.29819 160.7
[M]- 283.29929 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.