CID 9898899

49707-23-5

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

COC(CNC(=O)C=C)OC

InChI

InChI=1S/C7H13NO3/c1-4-6(9)8-5-7(10-2)11-3/h4,7H,1,5H2,2-3H3,(H,8,9)

InChIKey

CMMYGCUEJWTBCG-UHFFFAOYSA-N

Compound name

N-(2,2-dimethoxyethyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 612
Patents: 159.08954 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]+	160.09682	134.9
[M+Na]+	182.07876	142.9
[M+NH4]+	177.12336	141.0
[M+K]+	198.05270	139.2
[M-H]-	158.08226	133.2
[M+Na-2H]-	180.06421	137.0
[M]+	159.08899	135.0
[M]-	159.09009	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe