CID 22492203

Methyl 2-amino-3-(morpholin-4-yl)propanoate dihydrochloride

Structural Information

Molecular Formula

C₈H₁₆N₂O₃

SMILES

COC(=O)C(CN1CCOCC1)N

InChI

InChI=1S/C8H16N2O3/c1-12-8(11)7(9)6-10-2-4-13-5-3-10/h7H,2-6,9H2,1H3

InChIKey

LEEBLTYUTNSMLI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 188.11609 Da
Monoisotopic Mass: -1.1
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]+	189.123366	143.0
[M+Na]+	211.105308	146.7
[M-H]-	187.108814	144.3
[M+NH4]+	206.149913	159.0
[M+K]+	227.079248	147.9
[M+H-H2O]+	171.113350	135.8
[M+HCOO]-	233.114291	160.6
[M+CH3COO]-	247.129941	182.6
[M+Na-2H]-	209.090756	146.4
[M]+	188.11554142	139.9
[M]-	188.11663858	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe