CID 3285873

(4-methoxybenzyl)(2-methoxyethyl)amine

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

COCCNCC1=CC=C(C=C1)OC

InChI

InChI=1S/C11H17NO2/c1-13-8-7-12-9-10-3-5-11(14-2)6-4-10/h3-6,12H,7-9H2,1-2H3

InChIKey

RXQJAXYUATYDOM-UHFFFAOYSA-N

Compound name

2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 195.12593 Da
Monoisotopic Mass: 1.1
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]+	196.133206	143.1
[M+Na]+	218.115148	149.6
[M-H]-	194.118654	146.5
[M+NH4]+	213.159753	162.5
[M+K]+	234.089088	148.2
[M+H-H2O]+	178.123190	136.6
[M+HCOO]-	240.124131	168.5
[M+CH3COO]-	254.139781	187.4
[M+Na-2H]-	216.100596	149.8
[M]+	195.12538142	146.3
[M]-	195.12647858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe