CID 79468110

2-(3-oxomorpholino)propanoic acid

Structural Information

Molecular Formula

C₇H₁₁NO₄

SMILES

CC(C(=O)O)N1CCOCC1=O

InChI

InChI=1S/C7H11NO4/c1-5(7(10)11)8-2-3-12-4-6(8)9/h5H,2-4H2,1H3,(H,10,11)

InChIKey

TWCJCKIDASUZJX-UHFFFAOYSA-N

Compound name

2-(3-oxomorpholin-4-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 173.0688 Da
Monoisotopic Mass: -0.6
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]+	174.07608	135.7
[M+Na]+	196.05802	144.8
[M+NH4]+	191.10262	141.7
[M+K]+	212.03196	142.4
[M-H]-	172.06152	135.6
[M+Na-2H]-	194.04347	137.7
[M]+	173.06825	136.5
[M]-	173.06935	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe