CID 3048401

Methyl-dma

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CC(CC1=C(C=CC(=C1)OC)OC)NC

InChI

InChI=1S/C12H19NO2/c1-9(13-2)7-10-8-11(14-3)5-6-12(10)15-4/h5-6,8-9,13H,7H2,1-4H3

InChIKey

RSDBPMOXIPCTPN-UHFFFAOYSA-N

Compound name

1-(2,5-dimethoxyphenyl)-N-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 148
Patents: 209.14159 Da
Monoisotopic Mass: 2.2
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]+	210.14887	148.0
[M+Na]+	232.13081	154.8
[M-H]-	208.13431	151.7
[M+NH4]+	227.17541	167.0
[M+K]+	248.10475	153.7
[M+H-H2O]+	192.13885	141.6
[M+HCOO]-	254.13979	172.0
[M+CH3COO]-	268.15544	192.4
[M+Na-2H]-	230.11626	152.2
[M]+	209.14104	151.3
[M]-	209.14214	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe