CID 19839057

2-methylmorpholine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

CC1(CNCCO1)C(=O)O

InChI

InChI=1S/C6H11NO3/c1-6(5(8)9)4-7-2-3-10-6/h7H,2-4H2,1H3,(H,8,9)

InChIKey

JIVMDGGOJVUJPK-UHFFFAOYSA-N

Compound name

2-methylmorpholine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 145.0739 Da
Monoisotopic Mass: -3.0
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	129.7
[M+Na]+	168.063118	135.3
[M-H]-	144.066624	129.4
[M+NH4]+	163.107723	148.6
[M+K]+	184.037058	135.6
[M+H-H2O]+	128.071160	124.7
[M+HCOO]-	190.072101	145.5
[M+CH3COO]-	204.087751	166.4
[M+Na-2H]-	166.048566	136.4
[M]+	145.07335142	124.9
[M]-	145.07444858	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe