CID 82512191

1368814-46-3

Structural Information

Molecular Formula

C₈H₁₃NO₄

SMILES

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

InChI

InChI=1S/C8H13NO4/c1-8(2,7(11)12)9-3-4-13-5-6(9)10/h3-5H2,1-2H3,(H,11,12)

InChIKey

OHIVQULBMCWLQO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.08446 Da
Monoisotopic Mass: -0.4
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]+	188.091736	138.4
[M+Na]+	210.073678	144.3
[M-H]-	186.077184	139.5
[M+NH4]+	205.118283	154.6
[M+K]+	226.047618	145.0
[M+H-H2O]+	170.081720	132.8
[M+HCOO]-	232.082661	153.9
[M+CH3COO]-	246.098311	178.3
[M+Na-2H]-	208.059126	143.7
[M]+	187.08391142	136.6
[M]-	187.08500858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.