CID 66221282

1509525-33-0

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

CC1=CC=CC(=O)N1CC(OC)OC

InChI

InChI=1S/C10H15NO3/c1-8-5-4-6-9(12)11(8)7-10(13-2)14-3/h4-6,10H,7H2,1-3H3

InChIKey

WTEDYKHXDYLZHG-UHFFFAOYSA-N

Compound name

1-(2,2-dimethoxyethyl)-6-methylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.1052 Da
Monoisotopic Mass: 0.6
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]+	198.112476	140.4
[M+Na]+	220.094418	149.2
[M-H]-	196.097924	143.2
[M+NH4]+	215.139023	158.9
[M+K]+	236.068358	148.5
[M+H-H2O]+	180.102460	133.8
[M+HCOO]-	242.103401	163.3
[M+CH3COO]-	256.119051	185.4
[M+Na-2H]-	218.079866	145.6
[M]+	197.10465142	145.0
[M]-	197.10574858	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.