CID 44443901

3-(morpholin-2-yl)phenol

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1COC(CN1)C2=CC(=CC=C2)O

InChI

InChI=1S/C10H13NO2/c12-9-3-1-2-8(6-9)10-7-11-4-5-13-10/h1-3,6,10-12H,4-5,7H2

InChIKey

VYFSCTYDZYUMSC-UHFFFAOYSA-N

Compound name

3-morpholin-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
Patents: 179.09464 Da
Monoisotopic Mass: 1.0
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]+	180.10192	138.2
[M+Na]+	202.08386	143.6
[M-H]-	178.08736	140.9
[M+NH4]+	197.12846	153.8
[M+K]+	218.05780	141.4
[M+H-H2O]+	162.09190	131.1
[M+HCOO]-	224.09284	154.9
[M+CH3COO]-	238.10849	149.7
[M+Na-2H]-	200.06931	144.6
[M]+	179.09409	132.3
[M]-	179.09519	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe