CID 93158

2-(octylamino)ethanol

Structural Information

Molecular Formula

C₁₀H₂₃NO

SMILES

CCCCCCCCNCCO

InChI

InChI=1S/C10H23NO/c1-2-3-4-5-6-7-8-11-9-10-12/h11-12H,2-10H2,1H3

InChIKey

UVYBWDBLVDZIOX-UHFFFAOYSA-N

Compound name

2-(octylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 774
Patents: 173.17796 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]+	174.18524	144.6
[M+Na]+	196.16718	148.9
[M-H]-	172.17068	142.6
[M+NH4]+	191.21178	164.1
[M+K]+	212.14112	147.1
[M+H-H2O]+	156.17522	139.1
[M+HCOO]-	218.17616	166.8
[M+CH3COO]-	232.19181	183.5
[M+Na-2H]-	194.15263	149.2
[M]+	173.17741	146.1
[M]-	173.17851	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe