CID 17805710

1-[2-(propan-2-yl)phenyl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC(C)C1=CC=CC=C1C(C)N

InChI

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

InChIKey

UMZGHCKRXXENGB-UHFFFAOYSA-N

Compound name

1-(2-propan-2-ylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 163.1361 Da
Monoisotopic Mass: 2.3
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	138.2
[M+Na]+	186.12532	144.4
[M-H]-	162.12882	141.4
[M+NH4]+	181.16992	158.6
[M+K]+	202.09926	142.6
[M+H-H2O]+	146.13336	132.4
[M+HCOO]-	208.13430	160.5
[M+CH3COO]-	222.14995	184.4
[M+Na-2H]-	184.11077	141.4
[M]+	163.13555	136.2
[M]-	163.13665	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe