CID 13707364

2,2-dimethyl-3-phenylpropan-1-amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC(C)(CC1=CC=CC=C1)CN

InChI

InChI=1S/C11H17N/c1-11(2,9-12)8-10-6-4-3-5-7-10/h3-7H,8-9,12H2,1-2H3

InChIKey

HINKSSFMJHIJOU-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3-phenylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
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	137.7
[M+Na]+	186.12532	143.9
[M-H]-	162.12882	140.6
[M+NH4]+	181.16992	158.0
[M+K]+	202.09926	141.5
[M+H-H2O]+	146.13336	132.2
[M+HCOO]-	208.13430	160.5
[M+CH3COO]-	222.14995	181.9
[M+Na-2H]-	184.11077	144.7
[M]+	163.13555	136.1
[M]-	163.13665	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe