CID 69115801

Schembl4616413

Structural Information

Molecular Formula

C₁₃H₂₁NO₃

SMILES

CC1=CC=C(C=C1)N(CCO)CCOCCO

InChI

InChI=1S/C13H21NO3/c1-12-2-4-13(5-3-12)14(6-8-15)7-10-17-11-9-16/h2-5,15-16H,6-11H2,1H3

InChIKey

FKUHCVFTYNHOQG-UHFFFAOYSA-N

Compound name

2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 239.15215 Da
Monoisotopic Mass: 0.9
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]+	240.159426	156.3
[M+Na]+	262.141368	161.1
[M-H]-	238.144874	157.9
[M+NH4]+	257.185973	172.9
[M+K]+	278.115308	159.4
[M+H-H2O]+	222.149410	149.4
[M+HCOO]-	284.150351	178.7
[M+CH3COO]-	298.166001	193.7
[M+Na-2H]-	260.126816	160.1
[M]+	239.15160142	159.0
[M]-	239.15269858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe