CID 202010

4-methyl-4-(2-(1-methylpyridinium-2-yl)ethyl)morpholinium diiodide

Structural Information

Molecular Formula
C13H22N2O
SMILES
C[N+]1=CC=CC=C1CC[N+]2(CCOCC2)C
InChI
InChI=1S/C13H22N2O/c1-14-7-4-3-5-13(14)6-8-15(2)9-11-16-12-10-15/h3-5,7H,6,8-12H2,1-2H3/q+2
InChIKey
AYTSVHYZGXEPJR-UHFFFAOYSA-N
Compound name
4-methyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.17322 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18050 150.1
[M+Na]+ 245.16244 167.7
[M+NH4]+ 240.20704 162.4
[M+K]+ 261.13638 159.5
[M-H]- 221.16594 158.5
[M+Na-2H]- 243.14789 161.0
[M]+ 222.17267 156.0
[M]- 222.17377 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.