CID 89273

Einecs 243-527-3

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

CC(CN1CCOCC1)C(=O)OC

InChI

InChI=1S/C9H17NO3/c1-8(9(11)12-2)7-10-3-5-13-6-4-10/h8H,3-7H2,1-2H3

InChIKey

KGDDIHUWJWGQDG-UHFFFAOYSA-N

Compound name

methyl 2-methyl-3-morpholin-4-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 54
Patents: 187.12085 Da
Monoisotopic Mass: 0.3
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]+	188.128126	142.7
[M+Na]+	210.110068	146.8
[M-H]-	186.113574	144.5
[M+NH4]+	205.154673	159.4
[M+K]+	226.084008	148.3
[M+H-H2O]+	170.118110	135.9
[M+HCOO]-	232.119051	159.6
[M+CH3COO]-	246.134701	181.3
[M+Na-2H]-	208.095516	146.4
[M]+	187.12030142	141.7
[M]-	187.12139858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe