CID 11423602

5-methoxy-1-methylpyrrolidin-2-one

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CN1C(CCC1=O)OC

InChI

InChI=1S/C6H11NO2/c1-7-5(8)3-4-6(7)9-2/h6H,3-4H2,1-2H3

InChIKey

JGPIBNUVBCWHMU-UHFFFAOYSA-N

Compound name

5-methoxy-1-methylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 129.07898 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]+	130.086256	124.4
[M+Na]+	152.068198	133.0
[M-H]-	128.071704	126.9
[M+NH4]+	147.112803	147.3
[M+K]+	168.042138	133.0
[M+H-H2O]+	112.076240	119.1
[M+HCOO]-	174.077181	147.1
[M+CH3COO]-	188.092831	171.1
[M+Na-2H]-	150.053646	128.6
[M]+	129.07843142	124.5
[M]-	129.07952858	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe