CID 10559109

3-[(1,3-thiazol-2-yl)amino]propanoic acid

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

C1=CSC(=N1)NCCC(=O)O

InChI

InChI=1S/C6H8N2O2S/c9-5(10)1-2-7-6-8-3-4-11-6/h3-4H,1-2H2,(H,7,8)(H,9,10)

InChIKey

ZIMLUKOGXLTYJJ-UHFFFAOYSA-N

Compound name

3-(1,3-thiazol-2-ylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 172.03065 Da
Monoisotopic Mass: 1.3
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]+	173.03793	135.0
[M+Na]+	195.01987	143.5
[M+NH4]+	190.06447	142.4
[M+K]+	210.99381	139.1
[M-H]-	171.02337	135.1
[M+Na-2H]-	193.00532	138.8
[M]+	172.03010	136.3
[M]-	172.03120	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe