CID 9588817

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

Structural Information

Molecular Formula
C10H16N2O4
SMILES
CCOC(=O)ON1CCC=C(C1)/C=N/OC
InChI
InChI=1S/C10H16N2O4/c1-3-15-10(13)16-12-6-4-5-9(8-12)7-11-14-2/h5,7H,3-4,6,8H2,1-2H3/b11-7+
InChIKey
VXVJHSREBVRLTO-YRNVUSSQSA-N
Compound name
ethyl [5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.11101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.118286 149.4
[M+Na]+ 251.100228 155.0
[M-H]- 227.103734 152.3
[M+NH4]+ 246.144833 166.4
[M+K]+ 267.074168 155.5
[M+H-H2O]+ 211.108270 141.6
[M+HCOO]- 273.109211 172.3
[M+CH3COO]- 287.124861 191.6
[M+Na-2H]- 249.085676 154.1
[M]+ 228.11046142 152.3
[M]- 228.11155858 152.3
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.