CID 3052946

1-benzyl-3-morpholinocarbonyloxypyridinium bromide

Structural Information

Molecular Formula
C17H19N2O3
SMILES
C1COCCN1C(=O)OC2=C[N+](=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C17H19N2O3/c20-17(19-9-11-21-12-10-19)22-16-7-4-8-18(14-16)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2/q+1
InChIKey
CYMUEEYAOPANNC-UHFFFAOYSA-N
Compound name
(1-benzylpyridin-1-ium-3-yl) morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.13956 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14684 173.0
[M+Na]+ 322.12878 177.0
[M-H]- 298.13228 179.6
[M+NH4]+ 317.17338 182.4
[M+K]+ 338.10272 169.0
[M+H-H2O]+ 282.13682 164.5
[M+HCOO]- 344.13776 189.0
[M+CH3COO]- 358.15341 192.8
[M+Na-2H]- 320.11423 179.7
[M]+ 299.13901 169.3
[M]- 299.14011 169.3
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.