CID 80417491

1820575-53-8

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

CC1CNC(CO1)C(=O)O

InChI

InChI=1S/C6H11NO3/c1-4-2-7-5(3-10-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)

InChIKey

BIOFPDNBUUHVRE-UHFFFAOYSA-N

Compound name

6-methylmorpholine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 145.0739 Da
Monoisotopic Mass: -2.8
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]+	146.081176	129.9
[M+Na]+	168.063118	135.6
[M-H]-	144.066624	129.6
[M+NH4]+	163.107723	147.1
[M+K]+	184.037058	135.4
[M+H-H2O]+	128.071160	124.2
[M+HCOO]-	190.072101	145.7
[M+CH3COO]-	204.087751	168.0
[M+Na-2H]-	166.048566	134.7
[M]+	145.07335142	125.1
[M]-	145.07444858	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe