CID 10798271

Vgx-1027

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

C1C(ON=C1C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C11H11NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)

InChIKey

MUFJHYRCIHHATF-UHFFFAOYSA-N

Compound name

2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 31
References: 340
Patents: 205.0739 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]+	206.081176	142.6
[M+Na]+	228.063118	149.8
[M-H]-	204.066624	147.4
[M+NH4]+	223.107723	159.6
[M+K]+	244.037058	148.5
[M+H-H2O]+	188.071160	135.6
[M+HCOO]-	250.072101	163.5
[M+CH3COO]-	264.087751	180.6
[M+Na-2H]-	226.048566	147.2
[M]+	205.07335142	142.6
[M]-	205.07444858	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe