CID 78646

4931-66-2

Structural Information

Molecular Formula

SMILES

COC(=O)[C@@H]1CCC(=O)N1

InChI

InChI=1S/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)/t4-/m0/s1

InChIKey

HQGPKMSGXAUKHT-BYPYZUCNSA-N

Compound name

methyl (2S)-5-oxopyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 1424
Patents: 143.05824 Da
Monoisotopic Mass: -0.4
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]+	144.065516	128.2
[M+Na]+	166.047458	135.4
[M-H]-	142.050964	129.0
[M+NH4]+	161.092063	149.3
[M+K]+	182.021398	134.8
[M+H-H2O]+	126.055500	122.7
[M+HCOO]-	188.056441	148.7
[M+CH3COO]-	202.072091	168.7
[M+Na-2H]-	164.032906	131.2
[M]+	143.05769142	125.9
[M]-	143.05878858	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.