CID 410082

2-[4-(propan-2-yl)phenyl]ethan-1-amine

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC(C)C1=CC=C(C=C1)CCN

InChI

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

InChIKey

ZBLQKSNIFYXZTI-UHFFFAOYSA-N

Compound name

2-(4-propan-2-ylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 340
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	137.9
[M+Na]+	186.12532	144.3
[M-H]-	162.12882	141.0
[M+NH4]+	181.16992	158.3
[M+K]+	202.09926	142.0
[M+H-H2O]+	146.13336	132.0
[M+HCOO]-	208.13430	161.2
[M+CH3COO]-	222.14995	183.5
[M+Na-2H]-	184.11077	142.3
[M]+	163.13555	136.5
[M]-	163.13665	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe