CID 73424937

1881288-75-0

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

CC(C1=NC=C(S1)C(=O)O)N

InChI

InChI=1S/C6H8N2O2S/c1-3(7)5-8-2-4(11-5)6(9)10/h2-3H,7H2,1H3,(H,9,10)

InChIKey

ZXTOHPCVEPZUIA-UHFFFAOYSA-N

Compound name

2-(1-aminoethyl)-1,3-thiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 172.03065 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]+	173.03793	135.3
[M+Na]+	195.01987	143.5
[M+NH4]+	190.06447	142.4
[M+K]+	210.99381	140.3
[M-H]-	171.02337	135.0
[M+Na-2H]-	193.00532	138.1
[M]+	172.03010	136.4
[M]-	172.03120	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe