CID 14587548

Methyl 1-methyl-5-oxopyrrolidine-2-acetate

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

CN1C(CCC1=O)CC(=O)OC

InChI

InChI=1S/C8H13NO3/c1-9-6(3-4-7(9)10)5-8(11)12-2/h6H,3-5H2,1-2H3

InChIKey

RAPGWBWOZSWEHJ-UHFFFAOYSA-N

Compound name

methyl 2-(1-methyl-5-oxopyrrolidin-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 171.08954 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]+	172.096816	135.5
[M+Na]+	194.078758	143.4
[M-H]-	170.082264	137.8
[M+NH4]+	189.123363	156.6
[M+K]+	210.052698	143.1
[M+H-H2O]+	154.086800	129.9
[M+HCOO]-	216.087741	157.0
[M+CH3COO]-	230.103391	178.5
[M+Na-2H]-	192.064206	137.5
[M]+	171.08899142	136.4
[M]-	171.09008858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe