CID 14587545

67036-44-6

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

COC(=O)CC1CCC(=O)N1

InChI

InChI=1S/C7H11NO3/c1-11-7(10)4-5-2-3-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)

InChIKey

CFABROWAKYVCGK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 157.0739 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]+	158.08118	132.8
[M+Na]+	180.06312	139.6
[M-H]-	156.06662	133.4
[M+NH4]+	175.10772	153.3
[M+K]+	196.03706	138.7
[M+H-H2O]+	140.07116	127.1
[M+HCOO]-	202.07210	153.0
[M+CH3COO]-	216.08775	171.7
[M+Na-2H]-	178.04857	135.3
[M]+	157.07335	130.9
[M]-	157.07445	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe