CID 13973648

3-[(3-hydroxypropyl)amino]propanoic acid

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

C(CNCCC(=O)O)CO

InChI

InChI=1S/C6H13NO3/c8-5-1-3-7-4-2-6(9)10/h7-8H,1-5H2,(H,9,10)

InChIKey

QNKCOWNLFCGNPL-UHFFFAOYSA-N

Compound name

3-(3-hydroxypropylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 147.08954 Da
Monoisotopic Mass: -3.3
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]+	148.096816	131.9
[M+Na]+	170.078758	137.3
[M-H]-	146.082264	129.2
[M+NH4]+	165.123363	151.3
[M+K]+	186.052698	136.4
[M+H-H2O]+	130.086800	126.9
[M+HCOO]-	192.087741	153.5
[M+CH3COO]-	206.103391	172.7
[M+Na-2H]-	168.064206	136.7
[M]+	147.08899142	131.4
[M]-	147.09008858	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe