CID 13154118

(e)-(2,2-dimethoxyethyl)[(3-methoxyphenyl)methylidene]amine

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

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

InChI

InChI=1S/C12H17NO3/c1-14-11-6-4-5-10(7-11)8-13-9-12(15-2)16-3/h4-8,12H,9H2,1-3H3

InChIKey

ISDDMVDVRURZNA-UHFFFAOYSA-N

Compound name

N-(2,2-dimethoxyethyl)-1-(3-methoxyphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 223.12085 Da
Monoisotopic Mass: 1.3
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]+	224.128126	149.7
[M+Na]+	246.110068	156.3
[M-H]-	222.113574	154.6
[M+NH4]+	241.154673	168.5
[M+K]+	262.084008	156.0
[M+H-H2O]+	206.118110	142.7
[M+HCOO]-	268.119051	175.8
[M+CH3COO]-	282.134701	194.4
[M+Na-2H]-	244.095516	155.2
[M]+	223.12030142	155.2
[M]-	223.12139858	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe