CID 22262513

2-methylpyrrolidin-3-one hydrochloride

Structural Information

Molecular Formula

SMILES

CC1C(=O)CCN1

InChI

InChI=1S/C5H9NO/c1-4-5(7)2-3-6-4/h4,6H,2-3H2,1H3

InChIKey

ONCZHVKFNHOSKZ-UHFFFAOYSA-N

Compound name

2-methylpyrrolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1458
Patents: 99.06841 Da
Monoisotopic Mass: -0.3
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]+	100.07569	118.6
[M+Na]+	122.05763	126.4
[M-H]-	98.061134	119.5
[M+NH4]+	117.10223	141.7
[M+K]+	138.03157	125.2
[M+H-H2O]+	82.065670	113.5
[M+HCOO]-	144.06661	139.9
[M+CH3COO]-	158.08226	162.2
[M+Na-2H]-	120.04308	123.4
[M]+	99.067861	114.6
[M]-	99.068959	114.6

Literature stripe

literature stripe

Patent stripe

patents stripe