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

1
Patents

314.29333 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.300606 181.4
[M+Na]+ 337.282548 181.2
[M-H]- 313.286054 182.7
[M+NH4]+ 332.327153 195.8
[M+K]+ 353.256488 168.3
[M+H-H2O]+ 297.290590 177.3
[M+HCOO]- 359.291531 192.3
[M+CH3COO]- 373.307181 192.7
[M+Na-2H]- 335.267996 187.6
[M]+ 314.29278142 174.3
[M]- 314.29387858 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.