CID 52944012

6-hydroxy-n-methylmyosmine

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CN1CCC=C1C2=CNC(=O)C=C2

InChI

InChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)

InChIKey

LWGKCPAYDQWMMS-UHFFFAOYSA-N

Compound name

5-(1-methyl-2,3-dihydropyrrol-5-yl)-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 176.09496 Da
Monoisotopic Mass: 0.4
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]+	177.102236	136.4
[M+Na]+	199.084178	145.4
[M-H]-	175.087684	139.6
[M+NH4]+	194.128783	155.2
[M+K]+	215.058118	141.7
[M+H-H2O]+	159.092220	129.0
[M+HCOO]-	221.093161	157.8
[M+CH3COO]-	235.108811	176.5
[M+Na-2H]-	197.069626	141.1
[M]+	176.09441142	134.1
[M]-	176.09550858	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe