CID 3154217

65875-39-0

Structural Information

Molecular Formula

C₁₂H₂₀N₂O

SMILES

CN(C)CCNCC1=CC=C(C=C1)OC

InChI

InChI=1S/C12H20N2O/c1-14(2)9-8-13-10-11-4-6-12(15-3)7-5-11/h4-7,13H,8-10H2,1-3H3

InChIKey

QJYMFFDAQJBYQH-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 26
Patents: 208.15756 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]+	209.16484	149.1
[M+Na]+	231.14678	160.0
[M+NH4]+	226.19138	157.5
[M+K]+	247.12072	153.2
[M-H]-	207.15028	152.7
[M+Na-2H]-	229.13223	156.0
[M]+	208.15701	151.6
[M]-	208.15811	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe