CID 108402

1-methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

CN1CC(CC1=O)C(=O)OC

InChI

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

InChIKey

JFZRRXGXEHUJCI-UHFFFAOYSA-N

Compound name

methyl 1-methyl-5-oxopyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 402
Patents: 157.0739 Da
Monoisotopic Mass: -0.7
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	130.9
[M+Na]+	180.06312	139.1
[M-H]-	156.06662	133.3
[M+NH4]+	175.10772	152.5
[M+K]+	196.03706	139.1
[M+H-H2O]+	140.07116	125.4
[M+HCOO]-	202.07210	152.7
[M+CH3COO]-	216.08775	175.5
[M+Na-2H]-	178.04857	133.4
[M]+	157.07335	131.4
[M]-	157.07445	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe