CID 178200025

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

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃

SMILES

CC1=C(OC(=N1)C2CCNCC2)C(=O)OC

InChI

InChI=1S/C11H16N2O3/c1-7-9(11(14)15-2)16-10(13-7)8-3-5-12-6-4-8/h8,12H,3-6H2,1-2H3

InChIKey

OPMHXHRMYKTSOO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	150.6
[M+Na]+	247.105308	156.7
[M-H]-	223.108814	153.5
[M+NH4]+	242.149913	165.7
[M+K]+	263.079248	155.7
[M+H-H2O]+	207.113350	142.9
[M+HCOO]-	269.114291	167.2
[M+CH3COO]-	283.129941	184.6
[M+Na-2H]-	245.090756	152.3
[M]+	224.11554142	148.5
[M]-	224.11663858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.