CID 28063897

1255718-14-9

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

C1CN(OC1)CCC(=O)O

InChI

InChI=1S/C6H11NO3/c8-6(9)2-4-7-3-1-5-10-7/h1-5H2,(H,8,9)

InChIKey

XCUWGBCLMIVMOV-UHFFFAOYSA-N

Compound name

3-(1,2-oxazolidin-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 145.0739 Da
Monoisotopic Mass: -2.3
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]+	146.08118	129.6
[M+Na]+	168.06312	135.5
[M-H]-	144.06662	130.5
[M+NH4]+	163.10772	149.0
[M+K]+	184.03706	136.3
[M+H-H2O]+	128.07116	123.7
[M+HCOO]-	190.07210	149.0
[M+CH3COO]-	204.08775	169.1
[M+Na-2H]-	166.04857	134.2
[M]+	145.07335	128.3
[M]-	145.07445	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe