CID 20082658

1383734-93-7

Structural Information

Molecular Formula

SMILES

CC1CC(=O)CN1

InChI

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

InChIKey

BOBWXPSRJYGDGV-UHFFFAOYSA-N

Compound name

5-methylpyrrolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 99.06841 Da
Monoisotopic Mass: -0.2
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	119.4
[M+Na]+	122.05763	129.5
[M+NH4]+	117.10223	127.8
[M+K]+	138.03157	126.1
[M-H]-	98.061134	119.6
[M+Na-2H]-	120.04308	123.6
[M]+	99.067861	120.6
[M]-	99.068959	120.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe