CID 9588793

145071-30-3

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₃

SMILES

CCOC(=O)N1CCC=C(C1)/C=N/OC

InChI

InChI=1S/C10H16N2O3/c1-3-15-10(13)12-6-4-5-9(8-12)7-11-14-2/h5,7H,3-4,6,8H2,1-2H3/b11-7+

InChIKey

QLCOVBRPOYSITR-YRNVUSSQSA-N

Compound name

ethyl 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.11609 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	213.123366	146.9
[M+Na]+	235.105308	152.7
[M-H]-	211.108814	149.9
[M+NH4]+	230.149913	164.7
[M+K]+	251.079248	152.6
[M+H-H2O]+	195.113350	139.4
[M+HCOO]-	257.114291	169.6
[M+CH3COO]-	271.129941	189.5
[M+Na-2H]-	233.090756	151.6
[M]+	212.11554142	148.4
[M]-	212.11663858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe