CID 3146687

53934-76-2

Structural Information

Molecular Formula

SMILES

C1CC(=O)N(C1)CC(=O)O

InChI

InChI=1S/C6H9NO3/c8-5-2-1-3-7(5)4-6(9)10/h1-4H2,(H,9,10)

InChIKey

JGPIWNNFLKDTSR-UHFFFAOYSA-N

Compound name

2-(2-oxopyrrolidin-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 727
Patents: 143.05824 Da
Monoisotopic Mass: -0.6
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]+	144.06552	129.6
[M+Na]+	166.04746	138.1
[M+NH4]+	161.09206	136.2
[M+K]+	182.02140	136.3
[M-H]-	142.05096	128.1
[M+Na-2H]-	164.03291	131.9
[M]+	143.05769	129.8
[M]-	143.05879	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe