CID 3051256

Ro 2-2253

Structural Information

Molecular Formula
C15H24N3O2
SMILES
CN(C)C(=O)OC1=C(N=CC=C1)C[N+]2(CCCCC2)C
InChI
InChI=1S/C15H24N3O2/c1-17(2)15(19)20-14-8-7-9-16-13(14)12-18(3)10-5-4-6-11-18/h7-9H,4-6,10-12H2,1-3H3/q+1
InChIKey
VZGKASKBHQEWFE-UHFFFAOYSA-N
Compound name
[2-[(1-methylpiperidin-1-ium-1-yl)methyl]pyridin-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.18686 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.19414 165.2
[M+Na]+ 301.17608 169.2
[M-H]- 277.17958 169.8
[M+NH4]+ 296.22068 180.3
[M+K]+ 317.15002 162.4
[M+H-H2O]+ 261.18412 158.8
[M+HCOO]- 323.18506 183.0
[M+CH3COO]- 337.20071 196.1
[M+Na-2H]- 299.16153 171.3
[M]+ 278.18631 162.2
[M]- 278.18741 162.2
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.