CID 54371871

Sodium 2-[(5-oxopyrrolidin-3-yl)amino]acetate

Structural Information

Molecular Formula

C₆H₁₀N₂O₃

SMILES

C1C(CNC1=O)NCC(=O)O

InChI

InChI=1S/C6H10N2O3/c9-5-1-4(2-8-5)7-3-6(10)11/h4,7H,1-3H2,(H,8,9)(H,10,11)

InChIKey

UTTREVXNOTZAKF-UHFFFAOYSA-N

Compound name

2-[(5-oxopyrrolidin-3-yl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 158.06914 Da
Monoisotopic Mass: -3.8
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]+	159.076416	132.2
[M+Na]+	181.058358	137.9
[M-H]-	157.061864	131.4
[M+NH4]+	176.102963	151.4
[M+K]+	197.032298	136.3
[M+H-H2O]+	141.066400	126.2
[M+HCOO]-	203.067341	152.2
[M+CH3COO]-	217.082991	171.9
[M+Na-2H]-	179.043806	135.1
[M]+	158.06859142	127.3
[M]-	158.06968858	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe