CID 141343

3-morpholinophenol

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1COCCN1C2=CC(=CC=C2)O

InChI

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

InChIKey

BMGSGGYIUOQZBZ-UHFFFAOYSA-N

Compound name

3-morpholin-4-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 465
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	137.6
[M+Na]+	202.08386	143.4
[M-H]-	178.08736	141.7
[M+NH4]+	197.12846	153.9
[M+K]+	218.05780	142.1
[M+H-H2O]+	162.09190	130.2
[M+HCOO]-	224.09284	155.8
[M+CH3COO]-	238.10849	176.2
[M+Na-2H]-	200.06931	144.5
[M]+	179.09409	133.5
[M]-	179.09519	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe