CID 9588799

121750-61-6

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃

SMILES

CO/N=C/C1=CCCN(C1)C(=O)OCC=C

InChI

InChI=1S/C11H16N2O3/c1-3-7-16-11(14)13-6-4-5-10(9-13)8-12-15-2/h3,5,8H,1,4,6-7,9H2,2H3/b12-8+

InChIKey

FIBWODBLQWJUIU-XYOKQWHBSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 224.11609 Da
Monoisotopic Mass: 1.2
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]+	225.123366	150.1
[M+Na]+	247.105308	155.7
[M-H]-	223.108814	152.9
[M+NH4]+	242.149913	167.3
[M+K]+	263.079248	154.8
[M+H-H2O]+	207.113350	142.5
[M+HCOO]-	269.114291	172.6
[M+CH3COO]-	283.129941	191.7
[M+Na-2H]-	245.090756	154.2
[M]+	224.11554142	151.2
[M]-	224.11663858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe