CID 7010335

128593-72-6

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

C[C@@H](C1=CC=CC=C1)NC(C)C

InChI

InChI=1S/C11H17N/c1-9(2)12-10(3)11-7-5-4-6-8-11/h4-10,12H,1-3H3/t10-/m0/s1

InChIKey

QFUIZDLZUZDWJH-JTQLQIEISA-N

Compound name

N-[(1S)-1-phenylethyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 112
Patents: 163.1361 Da
Monoisotopic Mass: 2.5
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	143.4
[M-H]-	162.12882	141.5
[M+NH4]+	181.16992	158.5
[M+K]+	202.09926	141.9
[M+H-H2O]+	146.13336	132.1
[M+HCOO]-	208.13430	161.1
[M+CH3COO]-	222.14995	184.0
[M+Na-2H]-	184.11077	143.1
[M]+	163.13555	136.8
[M]-	163.13665	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe