CID 10351722

3-(methoxymethyl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

COCC1CCNC1=O

InChI

InChI=1S/C6H11NO2/c1-9-4-5-2-3-7-6(5)8/h5H,2-4H2,1H3,(H,7,8)

InChIKey

XTEMPDFELJHZGO-UHFFFAOYSA-N

Compound name

3-(methoxymethyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 129.07898 Da
Monoisotopic Mass: -0.5
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]+	130.08626	127.0
[M+Na]+	152.06820	136.3
[M+NH4]+	147.11280	134.6
[M+K]+	168.04214	133.2
[M-H]-	128.07170	126.5
[M+Na-2H]-	150.05365	130.3
[M]+	129.07843	127.8
[M]-	129.07953	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe