CID 225378

67900-19-0

Structural Information

Molecular Formula

C₈H₁₃NO₄

SMILES

C1COCCN1C(=O)CCC(=O)O

InChI

InChI=1S/C8H13NO4/c10-7(1-2-8(11)12)9-3-5-13-6-4-9/h1-6H2,(H,11,12)

InChIKey

OJFWUNYQLGJYEO-UHFFFAOYSA-N

Compound name

4-morpholin-4-yl-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 66
Patents: 187.08446 Da
Monoisotopic Mass: -1.2
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]+	188.09174	140.7
[M+Na]+	210.07368	149.2
[M+NH4]+	205.11828	146.5
[M+K]+	226.04762	146.3
[M-H]-	186.07718	140.5
[M+Na-2H]-	208.05913	142.6
[M]+	187.08391	141.3
[M]-	187.08501	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe