CID 95618

5300-22-1

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CCNCC(C1=CC=CC=C1)O

InChI

InChI=1S/C10H15NO/c1-2-11-8-10(12)9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3

InChIKey

XAFJIMVZKZUFPE-UHFFFAOYSA-N

Compound name

2-(ethylamino)-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 165.11537 Da
Monoisotopic Mass: 1.0
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]+	166.12265	136.9
[M+Na]+	188.10459	142.2
[M-H]-	164.10809	138.8
[M+NH4]+	183.14919	156.4
[M+K]+	204.07853	140.1
[M+H-H2O]+	148.11263	130.9
[M+HCOO]-	210.11357	159.8
[M+CH3COO]-	224.12922	179.4
[M+Na-2H]-	186.09004	143.0
[M]+	165.11482	135.2
[M]-	165.11592	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe