CID 83853118

Methyl 2-(piperidin-4-yl)-1,3-oxazole-5-carboxylate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃

SMILES

COC(=O)C1=CN=C(O1)C2CCNCC2

InChI

InChI=1S/C10H14N2O3/c1-14-10(13)8-6-12-9(15-8)7-2-4-11-5-3-7/h6-7,11H,2-5H2,1H3

InChIKey

AMBDFWHFLZVBJA-UHFFFAOYSA-N

Compound name

methyl 2-piperidin-4-yl-1,3-oxazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.10045 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]+	211.107726	146.0
[M+Na]+	233.089668	151.6
[M-H]-	209.093174	148.7
[M+NH4]+	228.134273	161.3
[M+K]+	249.063608	150.8
[M+H-H2O]+	193.097710	138.1
[M+HCOO]-	255.098651	162.9
[M+CH3COO]-	269.114301	180.4
[M+Na-2H]-	231.075116	148.9
[M]+	210.09990142	143.1
[M]-	210.10099858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.