CID 377675

1,2,5,6-tetrahydro-1,1-dimethyl-4-morpholinopyridinium iodide

Structural Information

Molecular Formula
C11H21N2O
SMILES
C[N+]1(CCC(=CC1)N2CCOCC2)C
InChI
InChI=1S/C11H21N2O/c1-13(2)7-3-11(4-8-13)12-5-9-14-10-6-12/h3H,4-10H2,1-2H3/q+1
InChIKey
VTJAFLLRROFQPM-UHFFFAOYSA-N
Compound name
4-(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.16539 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.17267 145.0
[M+Na]+ 220.15461 149.5
[M-H]- 196.15811 148.6
[M+NH4]+ 215.19921 161.8
[M+K]+ 236.12855 143.4
[M+H-H2O]+ 180.16265 139.5
[M+HCOO]- 242.16359 159.4
[M+CH3COO]- 256.17924 176.3
[M+Na-2H]- 218.14006 153.0
[M]+ 197.16484 137.9
[M]- 197.16594 137.9
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.