CID 9588820

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

Structural Information

Molecular Formula
C11H19N3O3
SMILES
CC(C)NC(=O)ON1CCC=C(C1)/C=N/OC
InChI
InChI=1S/C11H19N3O3/c1-9(2)13-11(15)17-14-6-4-5-10(8-14)7-12-16-3/h5,7,9H,4,6,8H2,1-3H3,(H,13,15)/b12-7+
InChIKey
PKGMTORXRFZZPH-KPKJPENVSA-N
Compound name
[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.14264 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.149916 155.5
[M+Na]+ 264.131858 159.7
[M-H]- 240.135364 158.4
[M+NH4]+ 259.176463 171.7
[M+K]+ 280.105798 159.9
[M+H-H2O]+ 224.139900 147.5
[M+HCOO]- 286.140841 177.9
[M+CH3COO]- 300.156491 198.5
[M+Na-2H]- 262.117306 158.8
[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.