CID 10666

Ricinine

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

CN1C=CC(=C(C1=O)C#N)OC

InChI

InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3

InChIKey

PETSAYFQSGAEQY-UHFFFAOYSA-N

Compound name

4-methoxy-1-methyl-2-oxopyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 69
References: 867
Patents: 164.05858 Da
Monoisotopic Mass: 0.0
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]+	165.06586	129.1
[M+Na]+	187.04780	141.2
[M-H]-	163.05130	131.8
[M+NH4]+	182.09240	147.0
[M+K]+	203.02174	139.4
[M+H-H2O]+	147.05584	116.5
[M+HCOO]-	209.05678	149.6
[M+CH3COO]-	223.07243	191.3
[M+Na-2H]-	185.03325	135.4
[M]+	164.05803	127.0
[M]-	164.05913	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe