CID 79468110

933749-97-4

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: 26
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]+	174.076076	134.6
[M+Na]+	196.058018	140.3
[M-H]-	172.061524	135.7
[M+NH4]+	191.102623	151.2
[M+K]+	212.031958	141.3
[M+H-H2O]+	156.066060	128.6
[M+HCOO]-	218.067001	151.1
[M+CH3COO]-	232.082651	175.9
[M+Na-2H]-	194.043466	138.4
[M]+	173.06825142	132.3
[M]-	173.06934858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe