CID 132371671

2155840-79-0

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

C1COC[C@@H](N1)[C@H](CO)O

InChI

InChI=1S/C6H13NO3/c8-3-6(9)5-4-10-2-1-7-5/h5-9H,1-4H2/t5-,6+/m1/s1

InChIKey

OUQSPRFHDKCKQO-RITPCOANSA-N

Compound name

(1R)-1-[(3R)-morpholin-3-yl]ethane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 147.08954 Da
Monoisotopic Mass: -1.8
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]+	148.096816	132.2
[M+Na]+	170.078758	136.1
[M-H]-	146.082264	130.0
[M+NH4]+	165.123363	148.2
[M+K]+	186.052698	135.7
[M+H-H2O]+	130.086800	126.2
[M+HCOO]-	192.087741	146.2
[M+CH3COO]-	206.103391	165.2
[M+Na-2H]-	168.064206	137.0
[M]+	147.08899142	125.8
[M]-	147.09008858	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.