CID 132342253

2137072-30-9

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄

SMILES

CO[C@H]1CCN(C1)CC2=NC(=CO2)C(=O)O

InChI

InChI=1S/C10H14N2O4/c1-15-7-2-3-12(4-7)5-9-11-8(6-16-9)10(13)14/h6-7H,2-5H2,1H3,(H,13,14)/t7-/m0/s1

InChIKey

NSVUTRHXKQILHJ-ZETCQYMHSA-N

Compound name

2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.09535 Da
Monoisotopic Mass: -2.2
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]+	227.102626	148.0
[M+Na]+	249.084568	155.0
[M-H]-	225.088074	151.6
[M+NH4]+	244.129173	164.7
[M+K]+	265.058508	155.0
[M+H-H2O]+	209.092610	141.0
[M+HCOO]-	271.093551	167.3
[M+CH3COO]-	285.109201	184.4
[M+Na-2H]-	247.070016	148.9
[M]+	226.09480142	149.3
[M]-	226.09589858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.