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: 10
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]+	146.08118	130.4
[M+Na]+	168.06312	139.6
[M+NH4]+	163.10772	138.5
[M+K]+	184.03706	134.5
[M-H]-	144.06662	130.7
[M+Na-2H]-	166.04857	134.7
[M]+	145.07335	131.5
[M]-	145.07445	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe