CID 3054974

71828-08-5

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CC(CC1=CC=CC=C1OC)N(C)C

InChI

InChI=1S/C12H19NO/c1-10(13(2)3)9-11-7-5-6-8-12(11)14-4/h5-8,10H,9H2,1-4H3

InChIKey

MKVBOOXXOLQOHN-UHFFFAOYSA-N

Compound name

1-(2-methoxyphenyl)-N,N-dimethylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 193.14667 Da
Monoisotopic Mass: 3.1
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]+	194.153946	145.1
[M+Na]+	216.135888	151.2
[M-H]-	192.139394	150.0
[M+NH4]+	211.180493	165.2
[M+K]+	232.109828	150.9
[M+H-H2O]+	176.143930	138.5
[M+HCOO]-	238.144871	169.4
[M+CH3COO]-	252.160521	192.8
[M+Na-2H]-	214.121336	149.2
[M]+	193.14612142	147.8
[M]-	193.14721858	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe