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 152.7
[M+Na]+ 245.16244 158.1
[M-H]- 221.16594 156.9
[M+NH4]+ 240.20704 168.1
[M+K]+ 261.13638 145.9
[M+H-H2O]+ 205.17048 149.6
[M+HCOO]- 267.17142 168.8
[M+CH3COO]- 281.18707 176.3
[M+Na-2H]- 243.14789 163.7
[M]+ 222.17267 148.0
[M]- 222.17377 148.0
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.