CID 199576

3-morpholino-1-propanol

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

C1COCCN1CCCO

InChI

InChI=1S/C7H15NO2/c9-5-1-2-8-3-6-10-7-4-8/h9H,1-7H2

InChIKey

VZKSLWJLGAGPIU-UHFFFAOYSA-N

Compound name

3-morpholin-4-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 4073
Patents: 145.11028 Da
Monoisotopic Mass: -0.4
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]+	146.11756	132.0
[M+Na]+	168.09950	136.6
[M-H]-	144.10300	132.4
[M+NH4]+	163.14410	149.8
[M+K]+	184.07344	136.9
[M+H-H2O]+	128.10754	125.6
[M+HCOO]-	190.10848	149.5
[M+CH3COO]-	204.12413	170.3
[M+Na-2H]-	166.08495	138.6
[M]+	145.10973	128.9
[M]-	145.11083	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe