CID 574769

69778-83-2

Structural Information

Molecular Formula

SMILES

COC1=CC(=O)NC1

InChI

InChI=1S/C5H7NO2/c1-8-4-2-5(7)6-3-4/h2H,3H2,1H3,(H,6,7)

InChIKey

TXKQBYYDTLOLHA-UHFFFAOYSA-N

Compound name

3-methoxy-1,2-dihydropyrrol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 214
Patents: 113.047676 Da
Monoisotopic Mass: -0.7
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]+	114.05495	120.7
[M+Na]+	136.03689	131.2
[M+NH4]+	131.08150	128.6
[M+K]+	152.01083	128.2
[M-H]-	112.04040	120.5
[M+Na-2H]-	134.02234	125.3
[M]+	113.04713	121.8
[M]-	113.04822	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe