CID 70397200

2225141-78-4

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

C1=CSC(=N1)C(CC(=O)O)N

InChI

InChI=1S/C6H8N2O2S/c7-4(3-5(9)10)6-8-1-2-11-6/h1-2,4H,3,7H2,(H,9,10)

InChIKey

RYXFYJOVBFTPTP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 172.03065 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]+	173.03793	135.1
[M+Na]+	195.01987	142.9
[M+NH4]+	190.06447	142.1
[M+K]+	210.99381	139.5
[M-H]-	171.02337	134.7
[M+Na-2H]-	193.00532	138.1
[M]+	172.03010	136.1
[M]-	172.03120	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe