CID 105744

67828-59-5

Structural Information

Molecular Formula

C₁₁H₁₃NO₄

SMILES

COC1=C(C=C(C=C1)C(=N)C(=O)OC)OC

InChI

InChI=1S/C11H13NO4/c1-14-8-5-4-7(6-9(8)15-2)10(12)11(13)16-3/h4-6,12H,1-3H3

InChIKey

OSZVVLIHRHITAM-UHFFFAOYSA-N

Compound name

methyl 2-(3,4-dimethoxyphenyl)-2-iminoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 223.08446 Da
Monoisotopic Mass: 1.9
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]+	224.09174	146.5
[M+Na]+	246.07368	154.0
[M-H]-	222.07718	150.6
[M+NH4]+	241.11828	164.7
[M+K]+	262.04762	153.6
[M+H-H2O]+	206.08172	140.2
[M+HCOO]-	268.08266	170.8
[M+CH3COO]-	282.09831	192.1
[M+Na-2H]-	244.05913	150.2
[M]+	223.08391	150.2
[M]-	223.08501	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe