CID 23079674

4-methylmorpholine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

CN1CCOC(C1)C(=O)O

InChI

InChI=1S/C6H11NO3/c1-7-2-3-10-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)

InChIKey

LJIYTRWQOOXPCZ-UHFFFAOYSA-N

Compound name

4-methylmorpholine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
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	128.9
[M+Na]+	168.063118	135.0
[M-H]-	144.066624	130.0
[M+NH4]+	163.107723	146.8
[M+K]+	184.037058	135.8
[M+H-H2O]+	128.071160	123.0
[M+HCOO]-	190.072101	146.2
[M+CH3COO]-	204.087751	170.6
[M+Na-2H]-	166.048566	134.2
[M]+	145.07335142	126.0
[M]-	145.07444858	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe