CID 783322

4-(morpholinomethyl)phenol

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

C1COCCN1CC2=CC=C(C=C2)O

InChI

InChI=1S/C11H15NO2/c13-11-3-1-10(2-4-11)9-12-5-7-14-8-6-12/h1-4,13H,5-9H2

InChIKey

QTBUQGNJOPTFNW-UHFFFAOYSA-N

Compound name

4-(morpholin-4-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 90
Patents: 193.11028 Da
Monoisotopic Mass: 1.2
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]+	194.117556	142.2
[M+Na]+	216.099498	147.6
[M-H]-	192.103004	146.1
[M+NH4]+	211.144103	158.0
[M+K]+	232.073438	146.0
[M+H-H2O]+	176.107540	134.6
[M+HCOO]-	238.108481	160.0
[M+CH3COO]-	252.124131	179.2
[M+Na-2H]-	214.084946	148.6
[M]+	193.10973142	138.5
[M]-	193.11082858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe