CID 408218

5442-34-2

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CCOC(=N)CC1=CC=CC=C1

InChI

InChI=1S/C10H13NO/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3

InChIKey

WOSCONIPQYKXMP-UHFFFAOYSA-N

Compound name

ethyl 2-phenylethanimidate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 163.09972 Da
Monoisotopic Mass: 2.4
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]+	164.106996	135.3
[M+Na]+	186.088938	141.5
[M-H]-	162.092444	138.7
[M+NH4]+	181.133543	155.6
[M+K]+	202.062878	139.7
[M+H-H2O]+	146.096980	129.2
[M+HCOO]-	208.097921	160.0
[M+CH3COO]-	222.113571	180.5
[M+Na-2H]-	184.074386	142.0
[M]+	163.09917142	134.8
[M]-	163.10026858	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe