CID 13022018

2-methyl-2-(morpholin-4-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

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

InChI

InChI=1S/C8H15NO3/c1-8(2,7(10)11)9-3-5-12-6-4-9/h3-6H2,1-2H3,(H,10,11)

InChIKey

ZIYBQIQKOLIMKY-UHFFFAOYSA-N

Compound name

2-methyl-2-morpholin-4-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 173.1052 Da
Monoisotopic Mass: -2.2
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]+	174.11248	137.6
[M+Na]+	196.09442	142.4
[M-H]-	172.09792	138.4
[M+NH4]+	191.13902	154.3
[M+K]+	212.06836	143.2
[M+H-H2O]+	156.10246	131.9
[M+HCOO]-	218.10340	152.8
[M+CH3COO]-	232.11905	175.8
[M+Na-2H]-	194.07987	143.5
[M]+	173.10465	134.7
[M]-	173.10575	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe