CID 438968

3235-69-6

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

C1COCCN1CC(=O)O

InChI

InChI=1S/C6H11NO3/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)

InChIKey

VIWZVFVJPXTXPA-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 3331
Patents: 145.0739 Da
Monoisotopic Mass: -2.8
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]+	146.081176	129.2
[M+Na]+	168.063118	134.3
[M-H]-	144.066624	129.9
[M+NH4]+	163.107723	146.8
[M+K]+	184.037058	135.2
[M+H-H2O]+	128.071160	123.0
[M+HCOO]-	190.072101	146.5
[M+CH3COO]-	204.087751	169.4
[M+Na-2H]-	166.048566	135.2
[M]+	145.07335142	125.9
[M]-	145.07444858	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe