CID 81670

1,3-dimorpholinopropan-2-ol

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₃

SMILES

C1COCCN1CC(CN2CCOCC2)O

InChI

InChI=1S/C11H22N2O3/c14-11(9-12-1-5-15-6-2-12)10-13-3-7-16-8-4-13/h11,14H,1-10H2

InChIKey

YTAILAZJMHRYOR-UHFFFAOYSA-N

Compound name

1,3-dimorpholin-4-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 43
Patents: 230.16304 Da
Monoisotopic Mass: -1.1
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]+	231.170316	156.0
[M+Na]+	253.152258	156.9
[M-H]-	229.155764	157.4
[M+NH4]+	248.196863	166.6
[M+K]+	269.126198	157.7
[M+H-H2O]+	213.160300	146.8
[M+HCOO]-	275.161241	166.2
[M+CH3COO]-	289.176891	185.3
[M+Na-2H]-	251.137706	159.2
[M]+	230.16249142	149.4
[M]-	230.16358858	149.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.