CID 44154173

85614-52-4

Structural Information

Molecular Formula

C₇H₁₁NO₄

SMILES

COC(=O)CN1CC(CC1=O)O

InChI

InChI=1S/C7H11NO4/c1-12-7(11)4-8-3-5(9)2-6(8)10/h5,9H,2-4H2,1H3

InChIKey

YLLVYVFTLNSJMR-UHFFFAOYSA-N

Compound name

methyl 2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 173.0688 Da
Monoisotopic Mass: -1.3
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]+	174.076076	134.5
[M+Na]+	196.058018	142.1
[M-H]-	172.061524	135.5
[M+NH4]+	191.102623	154.6
[M+K]+	212.031958	141.7
[M+H-H2O]+	156.066060	129.0
[M+HCOO]-	218.067001	154.9
[M+CH3COO]-	232.082651	175.0
[M+Na-2H]-	194.043466	136.5
[M]+	173.06825142	134.5
[M]-	173.06934858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe