CID 9588819

3-pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-(((propylamino)carbonyl)oxy)-, 3-(o-methyloxime), (e)-

Structural Information

Molecular Formula
C11H19N3O3
SMILES
CCCNC(=O)ON1CCC=C(C1)/C=N/OC
InChI
InChI=1S/C11H19N3O3/c1-3-6-12-11(15)17-14-7-4-5-10(9-14)8-13-16-2/h5,8H,3-4,6-7,9H2,1-2H3,(H,12,15)/b13-8+
InChIKey
HJCVCDWICPJTIT-MDWZMJQESA-N
Compound name
[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.14264 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.149916 155.0
[M+Na]+ 264.131858 159.4
[M-H]- 240.135364 157.7
[M+NH4]+ 259.176463 171.1
[M+K]+ 280.105798 159.0
[M+H-H2O]+ 224.139900 146.8
[M+HCOO]- 286.140841 178.3
[M+CH3COO]- 300.156491 197.6
[M+Na-2H]- 262.117306 159.5
[M]+ 241.14209142 156.0
[M]- 241.14318858 156.0
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.