CID 95426350

3-[(2r)-morpholin-2-yl]propanoic acid hydrochloride

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

C1CO[C@@H](CN1)CCC(=O)O

InChI

InChI=1S/C7H13NO3/c9-7(10)2-1-6-5-8-3-4-11-6/h6,8H,1-5H2,(H,9,10)/t6-/m1/s1

InChIKey

UMYVUUWWXGDGCP-ZCFIWIBFSA-N

Compound name

3-[(2R)-morpholin-2-yl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 159.08954 Da
Monoisotopic Mass: -2.9
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]+	160.09682	134.7
[M+Na]+	182.07876	138.9
[M-H]-	158.08226	133.8
[M+NH4]+	177.12336	150.9
[M+K]+	198.05270	138.6
[M+H-H2O]+	142.08680	128.5
[M+HCOO]-	204.08774	150.1
[M+CH3COO]-	218.10339	169.9
[M+Na-2H]-	180.06421	139.6
[M]+	159.08899	129.9
[M]-	159.09009	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe