CID 55287926

3-(2-methoxyethyl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

COCCC1CCNC1=O

InChI

InChI=1S/C7H13NO2/c1-10-5-3-6-2-4-8-7(6)9/h6H,2-5H2,1H3,(H,8,9)

InChIKey

YOWJZHPYAYUZQW-UHFFFAOYSA-N

Compound name

3-(2-methoxyethyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 143.09464 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]+	144.101916	130.7
[M+Na]+	166.083858	137.5
[M-H]-	142.087364	131.1
[M+NH4]+	161.128463	151.9
[M+K]+	182.057798	136.2
[M+H-H2O]+	126.091900	125.0
[M+HCOO]-	188.092841	151.5
[M+CH3COO]-	202.108491	170.4
[M+Na-2H]-	164.069306	134.4
[M]+	143.09409142	128.8
[M]-	143.09518858	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.