CID 16489630

893750-08-8

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄

SMILES

CC1=C(C(=NO1)C(=O)O)CN2CCOCC2

InChI

InChI=1S/C10H14N2O4/c1-7-8(9(10(13)14)11-16-7)6-12-2-4-15-5-3-12/h2-6H2,1H3,(H,13,14)

InChIKey

WWEQFPZKRLFAKK-UHFFFAOYSA-N

Compound name

5-methyl-4-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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	149.1
[M+Na]+	249.084568	155.6
[M-H]-	225.088074	152.8
[M+NH4]+	244.129173	162.7
[M+K]+	265.058508	156.1
[M+H-H2O]+	209.092610	141.6
[M+HCOO]-	271.093551	165.2
[M+CH3COO]-	285.109201	184.8
[M+Na-2H]-	247.070016	152.0
[M]+	226.09480142	148.8
[M]-	226.09589858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe