CID 67078252

1207625-91-9

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

CN1[C@H](COCC1=O)CO

InChI

InChI=1S/C6H11NO3/c1-7-5(2-8)3-10-4-6(7)9/h5,8H,2-4H2,1H3/t5-/m0/s1

InChIKey

VARQKLKKURHTHL-YFKPBYRVSA-N

Compound name

(5S)-5-(hydroxymethyl)-4-methylmorpholin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 145.0739 Da
Monoisotopic Mass: -1.2
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]+	146.081176	128.3
[M+Na]+	168.063118	135.6
[M-H]-	144.066624	129.8
[M+NH4]+	163.107723	146.6
[M+K]+	184.037058	136.0
[M+H-H2O]+	128.071160	122.6
[M+HCOO]-	190.072101	146.7
[M+CH3COO]-	204.087751	170.8
[M+Na-2H]-	166.048566	134.2
[M]+	145.07335142	126.5
[M]-	145.07444858	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe