CID 3076617

131962-83-9

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CN(C)CCOCC(C1=CC=C(C=C1)O)O

InChI

InChI=1S/C12H19NO3/c1-13(2)7-8-16-9-12(15)10-3-5-11(14)6-4-10/h3-6,12,14-15H,7-9H2,1-2H3

InChIKey

YUDUHNDMOHITAD-UHFFFAOYSA-N

Compound name

4-[2-[2-(dimethylamino)ethoxy]-1-hydroxyethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 225.13649 Da
Monoisotopic Mass: 0.6
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]+	226.14377	152.2
[M+Na]+	248.12571	157.3
[M-H]-	224.12921	154.2
[M+NH4]+	243.17031	169.4
[M+K]+	264.09965	156.3
[M+H-H2O]+	208.13375	145.6
[M+HCOO]-	270.13469	174.0
[M+CH3COO]-	284.15034	191.6
[M+Na-2H]-	246.11116	155.4
[M]+	225.13594	154.0
[M]-	225.13704	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe