CID 21117851

52317-07-4

Structural Information

Molecular Formula

C₈H₁₃NO₄

SMILES

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

InChI

InChI=1S/C8H13NO4/c1-5(10)4-13-8(12)6-2-3-7(11)9-6/h5-6,10H,2-4H2,1H3,(H,9,11)/t5?,6-/m0/s1

InChIKey

CSLLYODGQWBRHX-GDVGLLTNSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.08446 Da
Monoisotopic Mass: -0.7
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]+	188.091736	140.9
[M+Na]+	210.073678	146.5
[M-H]-	186.077184	140.0
[M+NH4]+	205.118283	159.3
[M+K]+	226.047618	145.4
[M+H-H2O]+	170.081720	135.2
[M+HCOO]-	232.082661	158.5
[M+CH3COO]-	246.098311	175.3
[M+Na-2H]-	208.059126	141.3
[M]+	187.08391142	138.3
[M]-	187.08500858	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.