CID 3051425

Ro 1-5516

Structural Information

Molecular Formula
C14H24N3O2
SMILES
CCN(CC)CC[N+]1=CC=CC(=C1)OC(=O)N(C)C
InChI
InChI=1S/C14H24N3O2/c1-5-16(6-2)10-11-17-9-7-8-13(12-17)19-14(18)15(3)4/h7-9,12H,5-6,10-11H2,1-4H3/q+1
InChIKey
ZALCWHMMUHRQBO-UHFFFAOYSA-N
Compound name
[1-[2-(diethylamino)ethyl]pyridin-1-ium-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.18686 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.19414 162.0
[M+Na]+ 289.17608 173.8
[M+NH4]+ 284.22068 169.6
[M+K]+ 305.15002 169.2
[M-H]- 265.17958 165.8
[M+Na-2H]- 287.16153 168.4
[M]+ 266.18631 164.9
[M]- 266.18741 164.9
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.