CID 63889690

Methyl({[2-(propan-2-yl)phenyl]methyl})amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC(C)C1=CC=CC=C1CNC

InChI

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

InChIKey

HIMRJOYYTNSYQV-UHFFFAOYSA-N

Compound name

N-methyl-1-(2-propan-2-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
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]+	164.14338	137.2
[M+Na]+	186.12532	143.6
[M-H]-	162.12882	140.9
[M+NH4]+	181.16992	158.0
[M+K]+	202.09926	141.7
[M+H-H2O]+	146.13336	131.4
[M+HCOO]-	208.13430	161.2
[M+CH3COO]-	222.14995	184.2
[M+Na-2H]-	184.11077	142.8
[M]+	163.13555	136.9
[M]-	163.13665	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe