CID 21238511

3-(morpholine-4-carbonyl)phenol

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

C1COCCN1C(=O)C2=CC(=CC=C2)O

InChI

InChI=1S/C11H13NO3/c13-10-3-1-2-9(8-10)11(14)12-4-6-15-7-5-12/h1-3,8,13H,4-7H2

InChIKey

PELYAGCBLDBUTI-UHFFFAOYSA-N

Compound name

(3-hydroxyphenyl)-morpholin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 207.08954 Da
Monoisotopic Mass: 0.7
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]+	208.096816	144.5
[M+Na]+	230.078758	149.9
[M-H]-	206.082264	148.6
[M+NH4]+	225.123363	159.5
[M+K]+	246.052698	148.8
[M+H-H2O]+	190.086800	136.9
[M+HCOO]-	252.087741	161.7
[M+CH3COO]-	266.103391	180.8
[M+Na-2H]-	228.064206	149.7
[M]+	207.08899142	140.8
[M]-	207.09008858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe