CID 20242414

2031261-08-0

Structural Information

Molecular Formula

SMILES

CN1CCOC(C1=O)C(=O)O

InChI

InChI=1S/C6H9NO4/c1-7-2-3-11-4(5(7)8)6(9)10/h4H,2-3H2,1H3,(H,9,10)

InChIKey

OZCSEBGJECAUHS-UHFFFAOYSA-N

Compound name

4-methyl-3-oxomorpholine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 159.05316 Da
Monoisotopic Mass: -0.3
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]+	160.06044	129.5
[M+Na]+	182.04238	136.8
[M-H]-	158.04588	131.1
[M+NH4]+	177.08698	147.0
[M+K]+	198.01632	137.5
[M+H-H2O]+	142.05042	123.8
[M+HCOO]-	204.05136	147.3
[M+CH3COO]-	218.06701	173.1
[M+Na-2H]-	180.02783	134.3
[M]+	159.05261	127.9
[M]-	159.05371	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe