CID 8416

N-phenyldiethanolamine

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

C1=CC=C(C=C1)N(CCO)CCO

InChI

InChI=1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2

InChIKey

OJPDDQSCZGTACX-UHFFFAOYSA-N

Compound name

2-[N-(2-hydroxyethyl)anilino]ethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 18698
Patents: 181.11028 Da
Monoisotopic Mass: 0.4
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]+	182.117556	139.9
[M+Na]+	204.099498	145.2
[M-H]-	180.103004	141.8
[M+NH4]+	199.144103	158.6
[M+K]+	220.073438	143.6
[M+H-H2O]+	164.107540	133.6
[M+HCOO]-	226.108481	163.1
[M+CH3COO]-	240.124131	181.4
[M+Na-2H]-	202.084946	146.0
[M]+	181.10973142	139.7
[M]-	181.11082858	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe