CID 4193973

N-(4-methoxybenzylidene)glycine methyl ester

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

COC1=CC=C(C=C1)C=NCC(=O)OC

InChI

InChI=1S/C11H13NO3/c1-14-10-5-3-9(4-6-10)7-12-8-11(13)15-2/h3-7H,8H2,1-2H3

InChIKey

VBEIMDCNFQCLNL-UHFFFAOYSA-N

Compound name

methyl 2-[(4-methoxyphenyl)methylideneamino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 207.08954 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]+	208.096816	143.8
[M+Na]+	230.078758	151.2
[M-H]-	206.082264	148.9
[M+NH4]+	225.123363	163.3
[M+K]+	246.052698	150.6
[M+H-H2O]+	190.086800	137.1
[M+HCOO]-	252.087741	170.4
[M+CH3COO]-	266.103391	189.8
[M+Na-2H]-	228.064206	149.9
[M]+	207.08899142	148.1
[M]-	207.09008858	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe