CID 13803306

4-methylmethamphetamine

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

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

InChI

InChI=1S/C11H17N/c1-9-4-6-11(7-5-9)8-10(2)12-3/h4-7,10,12H,8H2,1-3H3

InChIKey

GAIWFPOJOHUEBL-UHFFFAOYSA-N

Compound name

N-methyl-1-(4-methylphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 83
Patents: 163.1361 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]+	164.143376	137.2
[M+Na]+	186.125318	143.6
[M-H]-	162.128824	140.9
[M+NH4]+	181.169923	158.0
[M+K]+	202.099258	141.7
[M+H-H2O]+	146.133360	131.4
[M+HCOO]-	208.134301	161.2
[M+CH3COO]-	222.149951	184.2
[M+Na-2H]-	184.110766	142.8
[M]+	163.13555142	136.9
[M]-	163.13664858	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe