CID 90673

24973-30-6

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

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

InChI

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

InChIKey

URQGZRZFWABVEZ-UHFFFAOYSA-N

Compound name

1-(4-methoxy-3,5-dimethylphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 193.14667 Da
Monoisotopic Mass: 2.4
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	144.8
[M+Na]+	216.135888	152.7
[M-H]-	192.139394	148.5
[M+NH4]+	211.180493	164.7
[M+K]+	232.109828	150.7
[M+H-H2O]+	176.143930	139.1
[M+HCOO]-	238.144871	168.0
[M+CH3COO]-	252.160521	190.9
[M+Na-2H]-	214.121336	147.3
[M]+	193.14612142	146.1
[M]-	193.14721858	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.