CID 547324

Ethyl(2-phenylethyl)amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CCNCCC1=CC=CC=C1

InChI

InChI=1S/C10H15N/c1-2-11-9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3

InChIKey

WOHOHPONCSKXSQ-UHFFFAOYSA-N

Compound name

N-ethyl-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 592
Patents: 149.12045 Da
Monoisotopic Mass: 2.1
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]+	150.127726	132.3
[M+Na]+	172.109668	138.5
[M-H]-	148.113174	135.6
[M+NH4]+	167.154273	153.3
[M+K]+	188.083608	136.3
[M+H-H2O]+	132.117710	126.3
[M+HCOO]-	194.118651	157.6
[M+CH3COO]-	208.134301	179.3
[M+Na-2H]-	170.095116	140.4
[M]+	149.11990142	131.9
[M]-	149.12099858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe