CID 110850

3-morpholino-1,2-propanediol

Structural Information

Molecular Formula

C₇H₁₅NO₃

SMILES

C1COCCN1CC(CO)O

InChI

InChI=1S/C7H15NO3/c9-6-7(10)5-8-1-3-11-4-2-8/h7,9-10H,1-6H2

InChIKey

VZBNUEHCOOXOHR-UHFFFAOYSA-N

Compound name

3-morpholin-4-ylpropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1729
Patents: 161.1052 Da
Monoisotopic Mass: -1.4
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]+	162.11248	135.9
[M+Na]+	184.09442	139.9
[M-H]-	160.09792	135.0
[M+NH4]+	179.13902	152.2
[M+K]+	200.06836	140.1
[M+H-H2O]+	144.10246	129.6
[M+HCOO]-	206.10340	151.2
[M+CH3COO]-	220.11905	170.7
[M+Na-2H]-	182.07987	140.8
[M]+	161.10465	131.8
[M]-	161.10575	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe