CID 83670610

Methyl 3-methyl-2-oxopyrrolidine-3-carboxylate

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

CC1(CCNC1=O)C(=O)OC

InChI

InChI=1S/C7H11NO3/c1-7(6(10)11-2)3-4-8-5(7)9/h3-4H2,1-2H3,(H,8,9)

InChIKey

LGABVVFSYBSLDO-UHFFFAOYSA-N

Compound name

methyl 3-methyl-2-oxopyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 157.0739 Da
Monoisotopic Mass: 0.1
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	131.5
[M+Na]+	180.06312	139.3
[M-H]-	156.06662	132.5
[M+NH4]+	175.10772	154.1
[M+K]+	196.03706	138.5
[M+H-H2O]+	140.07116	126.9
[M+HCOO]-	202.07210	151.8
[M+CH3COO]-	216.08775	171.3
[M+Na-2H]-	178.04857	135.4
[M]+	157.07335	130.0
[M]-	157.07445	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe