CID 3047763

504 hc

Structural Information

Molecular Formula
C18H38N2O2
SMILES
C[N+]1(CCCCC1)CCOCCOCC[N+]2(CCCCC2)C
InChI
InChI=1S/C18H38N2O2/c1-19(9-5-3-6-10-19)13-15-21-17-18-22-16-14-20(2)11-7-4-8-12-20/h3-18H2,1-2H3/q+2
InChIKey
ACGKVDAZLYSQLL-UHFFFAOYSA-N
Compound name
1-methyl-1-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.29333 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.30061 181.4
[M+Na]+ 337.28255 181.2
[M-H]- 313.28605 182.7
[M+NH4]+ 332.32715 195.8
[M+K]+ 353.25649 168.3
[M+H-H2O]+ 297.29059 177.3
[M+HCOO]- 359.29153 192.3
[M+CH3COO]- 373.30718 192.7
[M+Na-2H]- 335.26800 187.6
[M]+ 314.29278 174.3
[M]- 314.29388 174.3
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.