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]+ 242.14992 155.0
[M+Na]+ 264.13186 159.4
[M-H]- 240.13536 157.7
[M+NH4]+ 259.17646 171.1
[M+K]+ 280.10580 159.0
[M+H-H2O]+ 224.13990 146.8
[M+HCOO]- 286.14084 178.3
[M+CH3COO]- 300.15649 197.6
[M+Na-2H]- 262.11731 159.5
[M]+ 241.14209 156.0
[M]- 241.14319 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.