CID 20288656

50382-43-9

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

CC1=C(SC=N1)C(C(=O)O)N

InChI

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

InChIKey

HEZKOJWSXGFURN-UHFFFAOYSA-N

Compound name

2-amino-2-(4-methyl-1,3-thiazol-5-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	134.7
[M+Na]+	195.01987	142.7
[M-H]-	171.02337	135.9
[M+NH4]+	190.06447	154.8
[M+K]+	210.99381	140.7
[M+H-H2O]+	155.02791	128.9
[M+HCOO]-	217.02885	151.7
[M+CH3COO]-	231.04450	176.5
[M+Na-2H]-	193.00532	134.6
[M]+	172.03010	134.6
[M]-	172.03120	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe