CID 130765538

2260917-59-5

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

C1[C@H](O[C@@H](CN1)CO)CO

InChI

InChI=1S/C6H13NO3/c8-3-5-1-7-2-6(4-9)10-5/h5-9H,1-4H2/t5-,6-/m0/s1

InChIKey

GETXODYPLYGMHT-WDSKDSINSA-N

Compound name

[(2S,6S)-6-(hydroxymethyl)morpholin-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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	131.7
[M+Na]+	170.078758	136.9
[M-H]-	146.082264	129.9
[M+NH4]+	165.123363	148.2
[M+K]+	186.052698	135.9
[M+H-H2O]+	130.086800	126.0
[M+HCOO]-	192.087741	146.7
[M+CH3COO]-	206.103391	165.5
[M+Na-2H]-	168.064206	137.1
[M]+	147.08899142	126.4
[M]-	147.09008858	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.