CID 172532765

Schembl31227420

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃

SMILES

CCOC(=O)C1=NOC(=C1)C2CCNCC2

InChI

InChI=1S/C11H16N2O3/c1-2-15-11(14)9-7-10(16-13-9)8-3-5-12-6-4-8/h7-8,12H,2-6H2,1H3

InChIKey

MAANWIGAHHCHLY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 224.11609 Da
Monoisotopic Mass: 1.1
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]+	225.123366	150.5
[M+Na]+	247.105308	155.7
[M-H]-	223.108814	153.1
[M+NH4]+	242.149913	165.3
[M+K]+	263.079248	154.6
[M+H-H2O]+	207.113350	142.5
[M+HCOO]-	269.114291	167.1
[M+CH3COO]-	283.129941	183.4
[M+Na-2H]-	245.090756	152.9
[M]+	224.11554142	148.0
[M]-	224.11663858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe