CID 11469797

37662-06-9

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CCOC(=O)C=N[C@@H](C)C1=CC=CC=C1

InChI

InChI=1S/C12H15NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/t10-/m0/s1

InChIKey

VHFZIBNRJPBOBX-JTQLQIEISA-N

Compound name

ethyl 2-[(1S)-1-phenylethyl]iminoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 205.11028 Da
Monoisotopic Mass: 2.6
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]+	206.11756	146.6
[M+Na]+	228.09950	152.4
[M-H]-	204.10300	151.2
[M+NH4]+	223.14410	165.8
[M+K]+	244.07344	151.4
[M+H-H2O]+	188.10754	139.7
[M+HCOO]-	250.10848	171.6
[M+CH3COO]-	264.12413	190.5
[M+Na-2H]-	226.08495	151.4
[M]+	205.10973	148.8
[M]-	205.11083	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe