CID 11074512

78715-83-0

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

COC(=O)[C@@H]1COC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C11H11NO3/c1-14-11(13)9-7-15-10(12-9)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m0/s1

InChIKey

DVPGDAXTDJUMAS-VIFPVBQESA-N

Compound name

methyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 205.0739 Da
Monoisotopic Mass: 1.6
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]+	206.08118	143.1
[M+Na]+	228.06312	155.6
[M+NH4]+	223.10772	150.9
[M+K]+	244.03706	152.2
[M-H]-	204.06662	146.8
[M+Na-2H]-	226.04857	149.8
[M]+	205.07335	145.8
[M]-	205.07445	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe