CID 7144513

1803605-11-9

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃

SMILES

C1CCN(CC1)CC2=CC(=NO2)C(=O)O

InChI

InChI=1S/C10H14N2O3/c13-10(14)9-6-8(15-11-9)7-12-4-2-1-3-5-12/h6H,1-5,7H2,(H,13,14)

InChIKey

NARCGKIHGJYFGP-UHFFFAOYSA-N

Compound name

5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.10045 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]+	211.107726	145.7
[M+Na]+	233.089668	151.2
[M-H]-	209.093174	148.3
[M+NH4]+	228.134273	160.9
[M+K]+	249.063608	150.4
[M+H-H2O]+	193.097710	137.8
[M+HCOO]-	255.098651	162.6
[M+CH3COO]-	269.114301	181.1
[M+Na-2H]-	231.075116	148.6
[M]+	210.09990142	142.9
[M]-	210.10099858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.